145-13-1
Product Name:
Pregnenolone
Formula:
C21H32O2
Synonyms:
3β-Hydroxy-5-pregnen-20-one;3β-hydroxypregn-5-en-20-one;Pregnenolone
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid |
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Melting Point | 192 °C |
Solubility | 0.00706 mg/mL at 37 °C |
LogP | 4.22 |
Collision Cross Section | 174 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
Kovats Retention Index | 2775.2 |
SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Flame Flammables GHS02 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H225:Flammable liquids H319:Serious eye damage/eye irritation |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
Molecular Weight | 316.5 g/mol |
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XLogP3 | 4.2 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 1 |
Exact Mass | 316.240230259 g/mol |
Monoisotopic Mass | 316.240230259 g/mol |
Topological Polar Surface Area | 37.3 Ų |
Heavy Atom Count | 23 |
Formal Charge | 0 |
Complexity | 550 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 7 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Pregnenolone is a 20-oxo steroid that is pregn-5-ene substituted by a beta-hydroxy group at position 3 and an oxo group at position 20. It has a role as a human metabolite and a mouse metabolite. It is a 20-oxo steroid, a C21-steroid and a 3beta-hydroxy-Delta(5)-steroid. It derives from a hydride of a pregnane.