[(E)-[(3S,5S,8R,9S,10S,13S,14S)-3-acetyloxy-10,13-dimethyl-1
TL;DR: [(E)-[(3S,5S,8R,9S,10S,13S,14S)-3-acetyloxy-10,13-dimethyl-1 (CAS 5767-88-4) is a chemical compound with molecular formula C24H34O5 and molecular weight 402.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5S,8R,9S,10S,13S,14S)-3-acetyloxy-10,13-dimethyl-17-oxo-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-16-ylidene]methyl acetate
Also Known As: [(E)-[(3S,5S,8R,9S,10S,13S,14S)-3-acetyloxy-10,13-dimethyl-1
| Molecular Formula | C24H34O5 |
|---|---|
| Molecular Weight | 402.24 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.24063 |
| Heavy Atoms | 29 |
| Complexity | 754.0 |
Chemical Identifiers
| CAS Number | 5767-88-4 |
|---|---|
| SMILES | CC(=O)OC=C1C[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@@]4([C@H]3CC[C@@]2(C1=O)C)C)OC(=O)C |
| InChIKey | MCZQQVUVHVOZGA-QQIKKZTESA-N |
Product Overview
[(E)-[(3S,5S,8R,9S,10S,13S,14S)-3-acetyloxy-10,13-dimethyl-1 (CAS 5767-88-4), with molecular formula C24H34O5 and molecular weight 402.24 g/mol. IUPAC: [(3S,5S,8R,9S,10S,13S,14S)-3-acetyloxy-10,13-dimethyl-17-oxo-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-16-ylidene]methyl acetate.
Chemical Property Profile of [(E)-[(3S,5S,8R,9S,10S,13S,14S)-3-acetyloxy-10,13-dimethyl-1
Property Insights of [(E)-[(3S,5S,8R,9S,10S,13S,14S)-3-acetyloxy-10,13-dimethyl-1
The XLogP value of 4.4 indicates that [(E)-[(3S,5S,8R,9S,10S,13S,14S)-3-acetyloxy-10,13-dimethyl-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for [(E)-[(3S,5S,8R,9S,10S,13S,14S)-3-acetyloxy-10,13-dimethyl-1. Following Lipinski's Rule of Five, [(E)-[(3S,5S,8R,9S,10S,13S,14S)-3-acetyloxy-10,13-dimethyl-1 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [(E)-[(3S,5S,8R,9S,10S,13S,14S)-3-acetyloxy-10,13-dimethyl-1?
The CAS number of [(E)-[(3S,5S,8R,9S,10S,13S,14S)-3-acetyloxy-10,13-dimethyl-1 is 5767-88-4.
What is the molecular formula of [(E)-[(3S,5S,8R,9S,10S,13S,14S)-3-acetyloxy-10,13-dimethyl-1?
The molecular formula of [(E)-[(3S,5S,8R,9S,10S,13S,14S)-3-acetyloxy-10,13-dimethyl-1 is C24H34O5.
What is the molecular weight of [(E)-[(3S,5S,8R,9S,10S,13S,14S)-3-acetyloxy-10,13-dimethyl-1?
The molecular weight of [(E)-[(3S,5S,8R,9S,10S,13S,14S)-3-acetyloxy-10,13-dimethyl-1 is 402.24 g/mol.
Where can I buy [(E)-[(3S,5S,8R,9S,10S,13S,14S)-3-acetyloxy-10,13-dimethyl-1?
You can request a quote for [(E)-[(3S,5S,8R,9S,10S,13S,14S)-3-acetyloxy-10,13-dimethyl-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(E)-[(3S,5S,8R,9S,10S,13S,14S)-3-acetyloxy-10,13-dimethyl-1?
Yes, KEHONG BIO provides custom synthesis services for [(E)-[(3S,5S,8R,9S,10S,13S,14S)-3-acetyloxy-10,13-dimethyl-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.