4-Amino-3-chloro-5-methylbenzoic acid
TL;DR: 4-Amino-3-chloro-5-methylbenzoic acid (CAS 157069-52-8) is a chemical compound with molecular formula C8H8ClNO2 and molecular weight 185.02435 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-3-chloro-5-methylbenzoic acid
Also Known As: 4-amino-3-chloro-5-methylbenzoic acid, 4-amino-3-chloro-5-methyl-benzoic Acid, Benzoic acid, 4-amino-3-chloro-5-methyl-, BUTTPARK 41\01-49, 4941AD
Technical Specifications
| Molecular Formula | C8H8ClNO2 |
| Molecular Weight | 185.02435 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.02435 Da |
| Heavy Atoms | 12 |
| Complexity | 186.0 |
| SMILES | CC1=CC(=CC(=C1N)Cl)C(=O)O |
| InChIKey | QDVXQZIEVDLRRT-UHFFFAOYSA-N |
Chemical Property Profile of 4-Amino-3-chloro-5-methylbenzoic acid
Property Insights of 4-Amino-3-chloro-5-methylbenzoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-3-chloro-5-methylbenzoic acid. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-3-chloro-5-methylbenzoic acid. Following Lipinski's Rule of Five, 4-Amino-3-chloro-5-methylbenzoic 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
What is the CAS number of 4-Amino-3-chloro-5-methylbenzoic acid?
The CAS number of 4-Amino-3-chloro-5-methylbenzoic acid is 157069-52-8.
What is the molecular formula of 4-Amino-3-chloro-5-methylbenzoic acid?
The molecular formula of 4-Amino-3-chloro-5-methylbenzoic acid is C8H8ClNO2.
What is the molecular weight of 4-Amino-3-chloro-5-methylbenzoic acid?
The molecular weight of 4-Amino-3-chloro-5-methylbenzoic acid is 185.02435 g/mol.
Where can I buy 4-Amino-3-chloro-5-methylbenzoic acid?
You can request a quote for 4-Amino-3-chloro-5-methylbenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Amino-3-chloro-5-methylbenzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-Amino-3-chloro-5-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.