![3-[(3,5-Dichlorobenzoyl)amino]-3-methylbutanoic acid structure](/static/products/3592/3592-25-4.webp)
3-[(3,5-Dichlorobenzoyl)amino]-3-methylbutanoic acid
TL;DR: 3-[(3,5-Dichlorobenzoyl)amino]-3-methylbutanoic acid (CAS 3592-25-4) is a chemical compound with molecular formula C12H13Cl2NO3 and molecular weight 289.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,5-dichlorobenzoyl)amino]-3-methylbutanoic acid
Also Known As: 3,3'-dimethyldiphenyl sulfide, 3-[(3,5-dichlorobenzoyl)amino]-3-methylbutanoic acid, 3-((3,5-dichlorobenzoyl)amino)-3-methylbutanoic acid, Butanoic acid, 3-[(3,5-dichlorobenzoyl)amino]-3-methyl-, 3-(3,5-Dichlorobenzamido)-3-methylbutanoic acid
| Molecular Formula | C12H13Cl2NO3 |
|---|---|
| Molecular Weight | 289.03 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.02725 |
| Heavy Atoms | 18 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 3592-25-4 |
|---|---|
| SMILES | CC(C)(CC(=O)O)NC(=O)C1=CC(=CC(=C1)Cl)Cl |
| InChIKey | FFQDAJZDTYHVLR-UHFFFAOYSA-N |
Product Overview
3-[(3,5-Dichlorobenzoyl)amino]-3-methylbutanoic acid (CAS 3592-25-4), with molecular formula C12H13Cl2NO3 and molecular weight 289.03 g/mol. IUPAC: 3-[(3,5-dichlorobenzoyl)amino]-3-methylbutanoic acid.
Chemical Property Profile of 3-[(3,5-Dichlorobenzoyl)amino]-3-methylbutanoic acid
Property Insights of 3-[(3,5-Dichlorobenzoyl)amino]-3-methylbutanoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(3,5-Dichlorobenzoyl)amino]-3-methylbutanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(3,5-Dichlorobenzoyl)amino]-3-methylbutanoic acid. Following Lipinski's Rule of Five, 3-[(3,5-Dichlorobenzoyl)amino]-3-methylbutanoic acid has 2 hydrogen bond donor(s) and 3 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 3-[(3,5-Dichlorobenzoyl)amino]-3-methylbutanoic acid?
The CAS number of 3-[(3,5-Dichlorobenzoyl)amino]-3-methylbutanoic acid is 3592-25-4.
What is the molecular formula of 3-[(3,5-Dichlorobenzoyl)amino]-3-methylbutanoic acid?
The molecular formula of 3-[(3,5-Dichlorobenzoyl)amino]-3-methylbutanoic acid is C12H13Cl2NO3.
What is the molecular weight of 3-[(3,5-Dichlorobenzoyl)amino]-3-methylbutanoic acid?
The molecular weight of 3-[(3,5-Dichlorobenzoyl)amino]-3-methylbutanoic acid is 289.03 g/mol.
Where can I buy 3-[(3,5-Dichlorobenzoyl)amino]-3-methylbutanoic acid?
You can request a quote for 3-[(3,5-Dichlorobenzoyl)amino]-3-methylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3,5-Dichlorobenzoyl)amino]-3-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3,5-Dichlorobenzoyl)amino]-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.