Methyl 3,7-bis(acetyloxy)chol-11-en-24-oate
TL;DR: Methyl 3,7-bis(acetyloxy)chol-11-en-24-oate (CAS 2284-36-8) is a chemical compound with molecular formula C29H44O6 and molecular weight 488.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4R)-4-[(3R,5S,8S,9S,10S,13R,14S,17R)-3,7-diacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
Also Known As: Methyl 3,7-bis(acetyloxy)chol-11-en-24-oate, Methyl 3alpha,7alpha-diacetoxy-5beta-chol-11-en-24-oate, Methyl 3alpha,7-bis(acetyloxy)-5beta-chol-11-en-24-oate, methyl(3, A)-3,7-bis(acetyloxy)chol-11-en-24-oate
| Molecular Formula | C29H44O6 |
|---|---|
| Molecular Weight | 488.31 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 488.31378 |
| Heavy Atoms | 35 |
| Complexity | 865.0 |
Chemical Identifiers
| CAS Number | 2284-36-8 |
|---|---|
| SMILES | C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(C=C[C@H]3[C@H]2C(C[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)OC(=O)C)C |
| InChIKey | CZAQECWMDFKTQA-QPCLIUJTSA-N |
Product Overview
Methyl 3,7-bis(acetyloxy)chol-11-en-24-oate (CAS 2284-36-8), with molecular formula C29H44O6 and molecular weight 488.31 g/mol. IUPAC: methyl (4R)-4-[(3R,5S,8S,9S,10S,13R,14S,17R)-3,7-diacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate.
Chemical Property Profile of Methyl 3,7-bis(acetyloxy)chol-11-en-24-oate
Property Insights of Methyl 3,7-bis(acetyloxy)chol-11-en-24-oate
The XLogP value of 5.9 indicates that Methyl 3,7-bis(acetyloxy)chol-11-en-24-oate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3,7-bis(acetyloxy)chol-11-en-24-oate. Following Lipinski's Rule of Five, Methyl 3,7-bis(acetyloxy)chol-11-en-24-oate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 3,7-bis(acetyloxy)chol-11-en-24-oate?
The CAS number of Methyl 3,7-bis(acetyloxy)chol-11-en-24-oate is 2284-36-8.
What is the molecular formula of Methyl 3,7-bis(acetyloxy)chol-11-en-24-oate?
The molecular formula of Methyl 3,7-bis(acetyloxy)chol-11-en-24-oate is C29H44O6.
What is the molecular weight of Methyl 3,7-bis(acetyloxy)chol-11-en-24-oate?
The molecular weight of Methyl 3,7-bis(acetyloxy)chol-11-en-24-oate is 488.31 g/mol.
Where can I buy Methyl 3,7-bis(acetyloxy)chol-11-en-24-oate?
You can request a quote for Methyl 3,7-bis(acetyloxy)chol-11-en-24-oate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,7-bis(acetyloxy)chol-11-en-24-oate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,7-bis(acetyloxy)chol-11-en-24-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.