1alpha,3beta-Diacetoxycholesta-5,7-diene
TL;DR: 1alpha,3beta-Diacetoxycholesta-5,7-diene (CAS 41461-10-3) is a chemical compound with molecular formula C31H48O4 and molecular weight 484.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,3R,9S,10R,13R,14R,17R)-1-acetyloxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: EINECS 255-382-3, Cholest-5,7-diene-1alpha,3beta-diol, Cholesta-5,7-diene-1alpha,3beta-diyl diacetate, 1alpha,3beta-diacetoxycholesta-5,7-diene, Cholesta-5,7-diene-1,3-diyl diacetate
| Molecular Formula | C31H48O4 |
|---|---|
| Molecular Weight | 484.36 g/mol |
| LogP | 7.4212 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 484.35526 |
| Heavy Atoms | 35 |
| Complexity | 884.414 |
Chemical Identifiers
| CAS Number | 41461-10-3 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3([C@H](C[C@@H](C4)OC(=O)C)OC(=O)C)C)C |
Product Overview
1alpha,3beta-Diacetoxycholesta-5,7-diene (CAS 41461-10-3), with molecular formula C31H48O4 and molecular weight 484.36 g/mol. IUPAC: [(1S,3R,9S,10R,13R,14R,17R)-1-acetyloxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of 1alpha,3beta-Diacetoxycholesta-5,7-diene
Property Insights of 1alpha,3beta-Diacetoxycholesta-5,7-diene
The XLogP value of 7.4212 indicates that 1alpha,3beta-Diacetoxycholesta-5,7-diene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1alpha,3beta-Diacetoxycholesta-5,7-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1alpha,3beta-Diacetoxycholesta-5,7-diene has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1alpha,3beta-Diacetoxycholesta-5,7-diene?
The CAS number of 1alpha,3beta-Diacetoxycholesta-5,7-diene is 41461-10-3.
What is the molecular formula of 1alpha,3beta-Diacetoxycholesta-5,7-diene?
The molecular formula of 1alpha,3beta-Diacetoxycholesta-5,7-diene is C31H48O4.
What is the molecular weight of 1alpha,3beta-Diacetoxycholesta-5,7-diene?
The molecular weight of 1alpha,3beta-Diacetoxycholesta-5,7-diene is 484.36 g/mol.
Where can I buy 1alpha,3beta-Diacetoxycholesta-5,7-diene?
You can request a quote for 1alpha,3beta-Diacetoxycholesta-5,7-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1alpha,3beta-Diacetoxycholesta-5,7-diene?
Yes, KEHONG BIO provides custom synthesis services for 1alpha,3beta-Diacetoxycholesta-5,7-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.