Benzenesulfonic acid, 3-amino-5-chloro-4-methyl-
TL;DR: Benzenesulfonic acid, 3-amino-5-chloro-4-methyl- (CAS 6387-27-5) is a chemical compound with molecular formula C7H8ClNO3S and molecular weight 220.99135 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-5-chloro-4-methylbenzenesulfonic acid
Also Known As: 3-amino-5-chloro-4-methylbenzenesulfonic acid, ACTS, Benzenesulfonic acid, 3-amino-5-chloro-4-methyl-, 2-Amino-6-chlorotoluene-4-sulphonic acid, 2-Amino-6-chlorotoluene-4-sulfonic acid
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H8ClNO3S |
| Molecular Weight | 220.99135 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 88.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.99135 Da |
| Heavy Atoms | 13 |
| Complexity | 274.0 |
| SMILES | CC1=C(C=C(C=C1Cl)S(=O)(=O)O)N |
| InChIKey | RSCRGMCYBCTJGF-UHFFFAOYSA-N |
Chemical Property Profile of Benzenesulfonic acid, 3-amino-5-chloro-4-methyl-
Property Insights of Benzenesulfonic acid, 3-amino-5-chloro-4-methyl-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 3-amino-5-chloro-4-methyl-. The TPSA of 88.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, 3-amino-5-chloro-4-methyl-. Following Lipinski's Rule of Five, Benzenesulfonic acid, 3-amino-5-chloro-4-methyl- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzenesulfonic acid, 3-amino-5-chloro-4-methyl-?
The CAS number of Benzenesulfonic acid, 3-amino-5-chloro-4-methyl- is 6387-27-5.
What is the molecular formula of Benzenesulfonic acid, 3-amino-5-chloro-4-methyl-?
The molecular formula of Benzenesulfonic acid, 3-amino-5-chloro-4-methyl- is C7H8ClNO3S.
What is the molecular weight of Benzenesulfonic acid, 3-amino-5-chloro-4-methyl-?
The molecular weight of Benzenesulfonic acid, 3-amino-5-chloro-4-methyl- is 220.99135 g/mol.
Where can I buy Benzenesulfonic acid, 3-amino-5-chloro-4-methyl-?
You can request a quote for Benzenesulfonic acid, 3-amino-5-chloro-4-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzenesulfonic acid, 3-amino-5-chloro-4-methyl-?
Yes, CoreyChem provides custom synthesis services for Benzenesulfonic acid, 3-amino-5-chloro-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.