![methyl 4-[(3s,5s,8r,9s,10s,13s,14s,17s)-3-(acetyloxy)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]-4-oxobutanoate(non-preferred name) structure](/static/products/2345/23457-36-5.webp)
methyl 4-[(3s,5s,8r,9s,10s,13s,14s,17s)-3-(acetyloxy)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]-4-oxobutanoate(non-preferred name)
TL;DR: methyl 4-[(3s,5s,8r,9s,10s,13s,14s,17s)-3-(acetyloxy)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]-4-oxobutanoate(non-preferred name) (CAS 23457-36-5) is a chemical compound with molecular formula C26H40O5 and molecular weight 432.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutanoate
Also Known As: methyl 4-[(3s,5s,8r,9s,10s,13s,14s,17s)-3-(acetyloxy)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]-4-oxobutanoate(non-preferred name), methyl 4-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutanoate
| Molecular Formula | C26H40O5 |
|---|---|
| Molecular Weight | 432.29 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 432.28757 |
| Heavy Atoms | 31 |
| Complexity | 731.0 |
Chemical Identifiers
| CAS Number | 23457-36-5 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C(=O)CCC(=O)OC)C)C |
| InChIKey | OYPYMNFOUYYNKV-WZHKHAFFSA-N |
Product Overview
methyl 4-[(3s,5s,8r,9s,10s,13s,14s,17s)-3-(acetyloxy)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]-4-oxobutanoate(non-preferred name) (CAS 23457-36-5), with molecular formula C26H40O5 and molecular weight 432.29 g/mol. IUPAC: methyl 4-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-oxobutanoate.
Chemical Property Profile of methyl 4-[(3s,5s,8r,9s,10s,13s,14s,17s)-3-(acetyloxy)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]-4-oxobutanoate(non-preferred name)
Property Insights of methyl 4-[(3s,5s,8r,9s,10s,13s,14s,17s)-3-(acetyloxy)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]-4-oxobutanoate(non-preferred name)
The XLogP value of 5.2 indicates that methyl 4-[(3s,5s,8r,9s,10s,13s,14s,17s)-3-(acetyloxy)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]-4-oxobutanoate(non-preferred name) 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 methyl 4-[(3s,5s,8r,9s,10s,13s,14s,17s)-3-(acetyloxy)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]-4-oxobutanoate(non-preferred name). Following Lipinski's Rule of Five, methyl 4-[(3s,5s,8r,9s,10s,13s,14s,17s)-3-(acetyloxy)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]-4-oxobutanoate(non-preferred name) 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 methyl 4-[(3s,5s,8r,9s,10s,13s,14s,17s)-3-(acetyloxy)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]-4-oxobutanoate(non-preferred name)?
The CAS number of methyl 4-[(3s,5s,8r,9s,10s,13s,14s,17s)-3-(acetyloxy)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]-4-oxobutanoate(non-preferred name) is 23457-36-5.
What is the molecular formula of methyl 4-[(3s,5s,8r,9s,10s,13s,14s,17s)-3-(acetyloxy)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]-4-oxobutanoate(non-preferred name)?
The molecular formula of methyl 4-[(3s,5s,8r,9s,10s,13s,14s,17s)-3-(acetyloxy)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]-4-oxobutanoate(non-preferred name) is C26H40O5.
What is the molecular weight of methyl 4-[(3s,5s,8r,9s,10s,13s,14s,17s)-3-(acetyloxy)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]-4-oxobutanoate(non-preferred name)?
The molecular weight of methyl 4-[(3s,5s,8r,9s,10s,13s,14s,17s)-3-(acetyloxy)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]-4-oxobutanoate(non-preferred name) is 432.29 g/mol.
Where can I buy methyl 4-[(3s,5s,8r,9s,10s,13s,14s,17s)-3-(acetyloxy)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]-4-oxobutanoate(non-preferred name)?
You can request a quote for methyl 4-[(3s,5s,8r,9s,10s,13s,14s,17s)-3-(acetyloxy)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]-4-oxobutanoate(non-preferred name) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[(3s,5s,8r,9s,10s,13s,14s,17s)-3-(acetyloxy)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]-4-oxobutanoate(non-preferred name)?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[(3s,5s,8r,9s,10s,13s,14s,17s)-3-(acetyloxy)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl]-4-oxobutanoate(non-preferred name) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.