[(3S,5S,8R,9S,10S,13S,14S,17S)-4'-ethoxy-10,13-dimethyl-6'-o
TL;DR: [(3S,5S,8R,9S,10S,13S,14S,17S)-4'-ethoxy-10,13-dimethyl-6'-o (CAS 7055-77-8) is a chemical compound with molecular formula C27H40O5 and molecular weight 444.29 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,17S)-4'-ethoxy-10,13-dimethyl-6'-oxospiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-3H-pyran]-17-yl] acetate
Also Known As: [(3S,5S,8R,9S,10S,13S,14S,17S)-4'-ethoxy-10,13-dimethyl-6'-o|[(3S,5S,8R,9S,10S,13S,14S,17S)-4'-ethoxy-10,13-dimethyl-6'-oxospiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-3H-pyran]-17-yl] acetate|(1S,2'S,3aS,3bR,5aS,9aS,9bS,11aS)-4'-Ethoxy-9a,11a-dimethyl-6'-oxo-1,2,3,3',3a,3b,4,5,5a,6,6',8,9,9a,9b,10,11,11a-octadecahydrospiro[cyclopenta[a]phenanthrene-7,2'-pyran]-1-yl acetate
| Molecular Formula | C27H40O5 |
|---|---|
| Molecular Weight | 444.29 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.28757 |
| Heavy Atoms | 32 |
| Complexity | 819.0 |
Chemical Identifiers
| CAS Number | 7055-77-8 |
|---|---|
| SMILES | CCOC1=CC(=O)O[C@@]2(C1)CC[C@]3([C@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@H]4CC[C@@H]5OC(=O)C)C)C |
| InChIKey | KBYQUXJAZCAIJT-YOYYETCOSA-N |
Product Overview
[(3S,5S,8R,9S,10S,13S,14S,17S)-4'-ethoxy-10,13-dimethyl-6'-o (CAS 7055-77-8), with molecular formula C27H40O5 and molecular weight 444.29 g/mol. IUPAC: [(3S,5S,8R,9S,10S,13S,14S,17S)-4'-ethoxy-10,13-dimethyl-6'-oxospiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-3H-pyran]-17-yl] acetate.
Chemical Property Profile of [(3S,5S,8R,9S,10S,13S,14S,17S)-4'-ethoxy-10,13-dimethyl-6'-o
Property Insights of [(3S,5S,8R,9S,10S,13S,14S,17S)-4'-ethoxy-10,13-dimethyl-6'-o
The XLogP value of 5.8 indicates that [(3S,5S,8R,9S,10S,13S,14S,17S)-4'-ethoxy-10,13-dimethyl-6'-o 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 [(3S,5S,8R,9S,10S,13S,14S,17S)-4'-ethoxy-10,13-dimethyl-6'-o. Following Lipinski's Rule of Five, [(3S,5S,8R,9S,10S,13S,14S,17S)-4'-ethoxy-10,13-dimethyl-6'-o 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 [(3S,5S,8R,9S,10S,13S,14S,17S)-4'-ethoxy-10,13-dimethyl-6'-o?
The CAS number of [(3S,5S,8R,9S,10S,13S,14S,17S)-4'-ethoxy-10,13-dimethyl-6'-o is 7055-77-8.
What is the molecular formula of [(3S,5S,8R,9S,10S,13S,14S,17S)-4'-ethoxy-10,13-dimethyl-6'-o?
The molecular formula of [(3S,5S,8R,9S,10S,13S,14S,17S)-4'-ethoxy-10,13-dimethyl-6'-o is C27H40O5.
What is the molecular weight of [(3S,5S,8R,9S,10S,13S,14S,17S)-4'-ethoxy-10,13-dimethyl-6'-o?
The molecular weight of [(3S,5S,8R,9S,10S,13S,14S,17S)-4'-ethoxy-10,13-dimethyl-6'-o is 444.29 g/mol.
Where can I buy [(3S,5S,8R,9S,10S,13S,14S,17S)-4'-ethoxy-10,13-dimethyl-6'-o?
You can request a quote for [(3S,5S,8R,9S,10S,13S,14S,17S)-4'-ethoxy-10,13-dimethyl-6'-o directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(3S,5S,8R,9S,10S,13S,14S,17S)-4'-ethoxy-10,13-dimethyl-6'-o?
Yes, KEHONG BIO provides custom synthesis services for [(3S,5S,8R,9S,10S,13S,14S,17S)-4'-ethoxy-10,13-dimethyl-6'-o and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.