Methyl acetyl-isolithocholate
TL;DR: Methyl acetyl-isolithocholate (CAS 56085-36-0) is a chemical compound with molecular formula C27H44O4 and molecular weight 432.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(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)pentanoate
Also Known As: 5-methyltriazolone, Methyl acetyl-isolithocholate, Methyl 3-O-acetyl-isolithocholate, Methyl 3-(acetyloxy)cholan-24-oate, Cholan-24-oic acid, methyl ester, (3.alpha.)-
| Molecular Formula | C27H44O4 |
|---|---|
| Molecular Weight | 432.32 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 432.32397 |
| Heavy Atoms | 31 |
| Complexity | 689.0 |
Chemical Identifiers
| CAS Number | 56085-36-0 |
|---|---|
| SMILES | CC(CCC(=O)OC)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C)C)C |
| InChIKey | DVIUCIPCTDVQAP-UHFFFAOYSA-N |
Product Overview
Methyl acetyl-isolithocholate (CAS 56085-36-0), with molecular formula C27H44O4 and molecular weight 432.32 g/mol. IUPAC: methyl 4-(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)pentanoate.
Chemical Property Profile of Methyl acetyl-isolithocholate
Property Insights of Methyl acetyl-isolithocholate
The XLogP value of 7.2 indicates that Methyl acetyl-isolithocholate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl acetyl-isolithocholate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl acetyl-isolithocholate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl acetyl-isolithocholate?
The CAS number of Methyl acetyl-isolithocholate is 56085-36-0.
What is the molecular formula of Methyl acetyl-isolithocholate?
The molecular formula of Methyl acetyl-isolithocholate is C27H44O4.
What is the molecular weight of Methyl acetyl-isolithocholate?
The molecular weight of Methyl acetyl-isolithocholate is 432.32 g/mol.
Where can I buy Methyl acetyl-isolithocholate?
You can request a quote for Methyl acetyl-isolithocholate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl acetyl-isolithocholate?
Yes, KEHONG BIO provides custom synthesis services for Methyl acetyl-isolithocholate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.