methyl 2-acetyloxy-4-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-acetyl
TL;DR: methyl 2-acetyloxy-4-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-acetyl (CAS 23328-18-9) is a chemical compound with molecular formula C28H42O7 and molecular weight 490.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetyloxy-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 2-acetyloxy-4-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-acetyl, methyl 2-acetyloxy-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, methyl 2-(acetyloxy)-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)
| Molecular Formula | C28H42O7 |
|---|---|
| Molecular Weight | 490.29 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 490.29306 |
| Heavy Atoms | 35 |
| Complexity | 867.0 |
Chemical Identifiers
| CAS Number | 23328-18-9 |
|---|---|
| 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)CC(C(=O)OC)OC(=O)C)C)C |
| InChIKey | IAYNVPYUTMHERZ-QKOBWVSVSA-N |
Product Overview
methyl 2-acetyloxy-4-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-acetyl (CAS 23328-18-9), with molecular formula C28H42O7 and molecular weight 490.29 g/mol. IUPAC: methyl 2-acetyloxy-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 2-acetyloxy-4-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-acetyl
Property Insights of methyl 2-acetyloxy-4-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-acetyl
The XLogP value of 5.2 indicates that methyl 2-acetyloxy-4-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-acetyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-acetyloxy-4-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-acetyl. Following Lipinski's Rule of Five, methyl 2-acetyloxy-4-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-acetyl has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-acetyloxy-4-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-acetyl?
The CAS number of methyl 2-acetyloxy-4-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-acetyl is 23328-18-9.
What is the molecular formula of methyl 2-acetyloxy-4-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-acetyl?
The molecular formula of methyl 2-acetyloxy-4-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-acetyl is C28H42O7.
What is the molecular weight of methyl 2-acetyloxy-4-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-acetyl?
The molecular weight of methyl 2-acetyloxy-4-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-acetyl is 490.29 g/mol.
Where can I buy methyl 2-acetyloxy-4-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-acetyl?
You can request a quote for methyl 2-acetyloxy-4-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-acetyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-acetyloxy-4-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-acetyl?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-acetyloxy-4-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-acetyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.