Methyl 3-(4-methylbenzenesulfonamido)benzoate
TL;DR: Methyl 3-(4-methylbenzenesulfonamido)benzoate (CAS 173436-66-3) is a chemical compound with molecular formula C15H15NO4S and molecular weight 305.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(4-methylphenyl)sulfonylamino]benzoate
Also Known As: MSAB, METHYL 3-(4-METHYLBENZENESULFONAMIDO)BENZOATE, MSAB?, MSAB, >=95% (HPLC), methyl 3-{[(4-methylphenyl)sulfonyl]amino}benzoate
| Molecular Formula | C15H15NO4S |
|---|---|
| Molecular Weight | 305.07 g/mol |
| LogP | 2.58242 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.07217 |
| Heavy Atoms | 21 |
| Complexity | 751.498 |
Chemical Identifiers
| CAS Number | 173436-66-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)OC |
Product Overview
Methyl 3-(4-methylbenzenesulfonamido)benzoate (CAS 173436-66-3), with molecular formula C15H15NO4S and molecular weight 305.07 g/mol. IUPAC: methyl 3-[(4-methylphenyl)sulfonylamino]benzoate.
Chemical Property Profile of Methyl 3-(4-methylbenzenesulfonamido)benzoate
Property Insights of Methyl 3-(4-methylbenzenesulfonamido)benzoate
The XLogP value of 2.58242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(4-methylbenzenesulfonamido)benzoate. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(4-methylbenzenesulfonamido)benzoate. Following Lipinski's Rule of Five, Methyl 3-(4-methylbenzenesulfonamido)benzoate has 1 hydrogen bond donor(s) and 4 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 Methyl 3-(4-methylbenzenesulfonamido)benzoate?
The CAS number of Methyl 3-(4-methylbenzenesulfonamido)benzoate is 173436-66-3.
What is the molecular formula of Methyl 3-(4-methylbenzenesulfonamido)benzoate?
The molecular formula of Methyl 3-(4-methylbenzenesulfonamido)benzoate is C15H15NO4S.
What is the molecular weight of Methyl 3-(4-methylbenzenesulfonamido)benzoate?
The molecular weight of Methyl 3-(4-methylbenzenesulfonamido)benzoate is 305.07 g/mol.
Where can I buy Methyl 3-(4-methylbenzenesulfonamido)benzoate?
You can request a quote for Methyl 3-(4-methylbenzenesulfonamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(4-methylbenzenesulfonamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-methylbenzenesulfonamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.