(3beta)-Cholest-5-en-3-yl propyl carbonate
TL;DR: (3beta)-Cholest-5-en-3-yl propyl carbonate (CAS 38896-30-9) is a chemical compound with molecular formula C31H52O3 and molecular weight 472.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] propyl carbonate
Also Known As: Cholesterol, propyl carbonate, KST-1A4465, (3, A)-cholest-5-en-3-yl propyl carbonate, Cholesterol (carbonic acid propyl) ester
| Molecular Formula | C31H52O3 |
|---|---|
| Molecular Weight | 472.39 g/mol |
| LogP | 10.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 472.39163 |
| Heavy Atoms | 34 |
| Complexity | 741.0 |
Chemical Identifiers
| CAS Number | 38896-30-9 |
|---|---|
| SMILES | CCCOC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C |
| InChIKey | HDCRAXGDAFODLS-GTPODGLVSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3beta)-Cholest-5-en-3-yl propyl carbonate (CAS 38896-30-9), with molecular formula C31H52O3 and molecular weight 472.39 g/mol. IUPAC: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] propyl carbonate.
Chemical Property Profile of (3beta)-Cholest-5-en-3-yl propyl carbonate
Property Insights of (3beta)-Cholest-5-en-3-yl propyl carbonate
The XLogP value of 10.4 indicates that (3beta)-Cholest-5-en-3-yl propyl carbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, (3beta)-Cholest-5-en-3-yl propyl carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3beta)-Cholest-5-en-3-yl propyl carbonate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3beta)-Cholest-5-en-3-yl propyl carbonate?
The CAS number of (3beta)-Cholest-5-en-3-yl propyl carbonate is 38896-30-9.
What is the molecular formula of (3beta)-Cholest-5-en-3-yl propyl carbonate?
The molecular formula of (3beta)-Cholest-5-en-3-yl propyl carbonate is C31H52O3.
What is the molecular weight of (3beta)-Cholest-5-en-3-yl propyl carbonate?
The molecular weight of (3beta)-Cholest-5-en-3-yl propyl carbonate is 472.39 g/mol.
Where can I buy (3beta)-Cholest-5-en-3-yl propyl carbonate?
You can request a quote for (3beta)-Cholest-5-en-3-yl propyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3beta)-Cholest-5-en-3-yl propyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for (3beta)-Cholest-5-en-3-yl propyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.