![1-o-[2-(4-chlorophenyl)-3-methylbutanoyl]- structure](/static/products/7204/72041-51-1.webp)
1-o-[2-(4-chlorophenyl)-3-methylbutanoyl]-
TL;DR: 1-o-[2-(4-chlorophenyl)-3-methylbutanoyl]- (CAS 72041-51-1) is a chemical compound with molecular formula C17H21ClO8 and molecular weight 388.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-6-[2-(4-chlorophenyl)-3-methylbutanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: 1-o-[2-(4-chlorophenyl)-3-methylbutanoyl]-, A-d-glucopyranuronic acid, (2S,3S,4S,5R,6S)-6-(2-(4-Chlorophenyl)-3-methylbutanoyl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid, 1-O-[2-(4-Chlorophenyl)-3-methylbutanoyl]hexopyranuronic acid, 1-O-[2-(4-chlorophenyl)-3-methylbutanoyl]-beta-D-glucopyranuronic acid
| Molecular Formula | C17H21ClO8 |
|---|---|
| Molecular Weight | 388.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.0925 |
| Heavy Atoms | 26 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 72041-51-1 |
|---|---|
| SMILES | CC(C)C(C1=CC=C(C=C1)Cl)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
| InChIKey | YEFYPLJIFSQYGY-DDGFWXRSSA-N |
Product Overview
1-o-[2-(4-chlorophenyl)-3-methylbutanoyl]- (CAS 72041-51-1), with molecular formula C17H21ClO8 and molecular weight 388.09 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[2-(4-chlorophenyl)-3-methylbutanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of 1-o-[2-(4-chlorophenyl)-3-methylbutanoyl]-
Property Insights of 1-o-[2-(4-chlorophenyl)-3-methylbutanoyl]-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-o-[2-(4-chlorophenyl)-3-methylbutanoyl]-. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-o-[2-(4-chlorophenyl)-3-methylbutanoyl]-. Following Lipinski's Rule of Five, 1-o-[2-(4-chlorophenyl)-3-methylbutanoyl]- has 4 hydrogen bond donor(s) and 8 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 1-o-[2-(4-chlorophenyl)-3-methylbutanoyl]-?
The CAS number of 1-o-[2-(4-chlorophenyl)-3-methylbutanoyl]- is 72041-51-1.
What is the molecular formula of 1-o-[2-(4-chlorophenyl)-3-methylbutanoyl]-?
The molecular formula of 1-o-[2-(4-chlorophenyl)-3-methylbutanoyl]- is C17H21ClO8.
What is the molecular weight of 1-o-[2-(4-chlorophenyl)-3-methylbutanoyl]-?
The molecular weight of 1-o-[2-(4-chlorophenyl)-3-methylbutanoyl]- is 388.09 g/mol.
Where can I buy 1-o-[2-(4-chlorophenyl)-3-methylbutanoyl]-?
You can request a quote for 1-o-[2-(4-chlorophenyl)-3-methylbutanoyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-o-[2-(4-chlorophenyl)-3-methylbutanoyl]-?
Yes, KEHONG BIO provides custom synthesis services for 1-o-[2-(4-chlorophenyl)-3-methylbutanoyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.