Pregnenolone, 3-dimethyl(t-butyl)silyl ether
TL;DR: Pregnenolone, 3-dimethyl(t-butyl)silyl ether (CAS 58701-45-4) is a chemical compound with molecular formula C27H46O2Si and molecular weight 430.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Also Known As: Pregnenolone, TBDMS derivative, 3-tert-Butyldimethylsilyloxy Pregnenolone, Pregnenolone, 3-dimethyl(t-butyl)silyl ether, 3beta-(tert-Butyldimethylsiloxy)pregn-5-en-20-one, 3-{[tert-butyl(dimethyl)silyl]oxy}pregn-5-en-20-one
| Molecular Formula | C27H46O2Si |
|---|---|
| Molecular Weight | 430.33 g/mol |
| LogP | 7.5448 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 430.32672 |
| Heavy Atoms | 30 |
| Complexity | 731.6353 |
Chemical Identifiers
| CAS Number | 58701-45-4 |
|---|---|
| SMILES | CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O[Si](C)(C)C(C)(C)C)C)C |
Product Overview
Pregnenolone, 3-dimethyl(t-butyl)silyl ether (CAS 58701-45-4), with molecular formula C27H46O2Si and molecular weight 430.33 g/mol. IUPAC: 1-[3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone.
Chemical Property Profile of Pregnenolone, 3-dimethyl(t-butyl)silyl ether
Property Insights of Pregnenolone, 3-dimethyl(t-butyl)silyl ether
The XLogP value of 7.5448 indicates that Pregnenolone, 3-dimethyl(t-butyl)silyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Pregnenolone, 3-dimethyl(t-butyl)silyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pregnenolone, 3-dimethyl(t-butyl)silyl ether has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pregnenolone, 3-dimethyl(t-butyl)silyl ether?
The CAS number of Pregnenolone, 3-dimethyl(t-butyl)silyl ether is 58701-45-4.
What is the molecular formula of Pregnenolone, 3-dimethyl(t-butyl)silyl ether?
The molecular formula of Pregnenolone, 3-dimethyl(t-butyl)silyl ether is C27H46O2Si.
What is the molecular weight of Pregnenolone, 3-dimethyl(t-butyl)silyl ether?
The molecular weight of Pregnenolone, 3-dimethyl(t-butyl)silyl ether is 430.33 g/mol.
Where can I buy Pregnenolone, 3-dimethyl(t-butyl)silyl ether?
You can request a quote for Pregnenolone, 3-dimethyl(t-butyl)silyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pregnenolone, 3-dimethyl(t-butyl)silyl ether?
Yes, KEHONG BIO provides custom synthesis services for Pregnenolone, 3-dimethyl(t-butyl)silyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.