2,5-Epoxycholestane-3,6-diyl diacetate
TL;DR: 2,5-Epoxycholestane-3,6-diyl diacetate (CAS 51385-35-4) is a chemical compound with molecular formula C31H50O5 and molecular weight 502.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[16-acetyloxy-9,13-dimethyl-8-(6-methylheptan-2-yl)-18-oxapentacyclo[13.2.1.01,13.04,12.05,9]octadecan-2-yl] acetate
Also Known As: 2,5-epoxycholestane-3,6-diyl diacetate, 2-[3-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2-oxopyrrolidin-1-yl]ethyl acetate
| Molecular Formula | C31H50O5 |
|---|---|
| Molecular Weight | 502.37 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 502.3658 |
| Heavy Atoms | 36 |
| Complexity | 869.0 |
Chemical Identifiers
| CAS Number | 51385-35-4 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(C45C3(CC(O4)C(C5)OC(=O)C)C)OC(=O)C)C |
| InChIKey | RLGPOFRMDWZYFH-UHFFFAOYSA-N |
Product Overview
2,5-Epoxycholestane-3,6-diyl diacetate (CAS 51385-35-4), with molecular formula C31H50O5 and molecular weight 502.37 g/mol. IUPAC: [16-acetyloxy-9,13-dimethyl-8-(6-methylheptan-2-yl)-18-oxapentacyclo[13.2.1.01,13.04,12.05,9]octadecan-2-yl] acetate.
Chemical Property Profile of 2,5-Epoxycholestane-3,6-diyl diacetate
Property Insights of 2,5-Epoxycholestane-3,6-diyl diacetate
The XLogP value of 8.1 indicates that 2,5-Epoxycholestane-3,6-diyl diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Epoxycholestane-3,6-diyl diacetate. Following Lipinski's Rule of Five, 2,5-Epoxycholestane-3,6-diyl diacetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,5-Epoxycholestane-3,6-diyl diacetate?
The CAS number of 2,5-Epoxycholestane-3,6-diyl diacetate is 51385-35-4.
What is the molecular formula of 2,5-Epoxycholestane-3,6-diyl diacetate?
The molecular formula of 2,5-Epoxycholestane-3,6-diyl diacetate is C31H50O5.
What is the molecular weight of 2,5-Epoxycholestane-3,6-diyl diacetate?
The molecular weight of 2,5-Epoxycholestane-3,6-diyl diacetate is 502.37 g/mol.
Where can I buy 2,5-Epoxycholestane-3,6-diyl diacetate?
You can request a quote for 2,5-Epoxycholestane-3,6-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Epoxycholestane-3,6-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Epoxycholestane-3,6-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.