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Methyl 4-methyl-3-{[(4-methylphenyl)sulfonyl]amino}benzoate
TL;DR: Methyl 4-methyl-3-{[(4-methylphenyl)sulfonyl]amino}benzoate (CAS 432016-21-2) is a chemical compound with molecular formula C16H17NO4S and molecular weight 319.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-methyl-3-[(4-methylphenyl)sulfonylamino]benzoate
Also Known As: AB00118025-01, Methyl 4-methyl-3-(4-methylphenylsulfonamido)benzoate, methyl 4-methyl-3-{[(4-methylphenyl)sulfonyl]amino}benzoate, methyl 4-methyl-3-[(4-methylphenyl)sulfonylamino]benzoate, METHYL 4-METHYL-3-(4-METHYLBENZENESULFONAMIDO)BENZOATE
| Molecular Formula | C16H17NO4S |
|---|---|
| Molecular Weight | 319.09 g/mol |
| LogP | 2.89084 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.08783 |
| Heavy Atoms | 22 |
| Complexity | 795.39557 |
Chemical Identifiers
| CAS Number | 432016-21-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)OC)C |
Product Overview
Methyl 4-methyl-3-{[(4-methylphenyl)sulfonyl]amino}benzoate (CAS 432016-21-2), with molecular formula C16H17NO4S and molecular weight 319.09 g/mol. IUPAC: methyl 4-methyl-3-[(4-methylphenyl)sulfonylamino]benzoate.
Chemical Property Profile of Methyl 4-methyl-3-{[(4-methylphenyl)sulfonyl]amino}benzoate
Property Insights of Methyl 4-methyl-3-{[(4-methylphenyl)sulfonyl]amino}benzoate
The XLogP value of 2.89084 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-methyl-3-{[(4-methylphenyl)sulfonyl]amino}benzoate. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-methyl-3-{[(4-methylphenyl)sulfonyl]amino}benzoate. Following Lipinski's Rule of Five, Methyl 4-methyl-3-{[(4-methylphenyl)sulfonyl]amino}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 4-methyl-3-{[(4-methylphenyl)sulfonyl]amino}benzoate?
The CAS number of Methyl 4-methyl-3-{[(4-methylphenyl)sulfonyl]amino}benzoate is 432016-21-2.
What is the molecular formula of Methyl 4-methyl-3-{[(4-methylphenyl)sulfonyl]amino}benzoate?
The molecular formula of Methyl 4-methyl-3-{[(4-methylphenyl)sulfonyl]amino}benzoate is C16H17NO4S.
What is the molecular weight of Methyl 4-methyl-3-{[(4-methylphenyl)sulfonyl]amino}benzoate?
The molecular weight of Methyl 4-methyl-3-{[(4-methylphenyl)sulfonyl]amino}benzoate is 319.09 g/mol.
Where can I buy Methyl 4-methyl-3-{[(4-methylphenyl)sulfonyl]amino}benzoate?
You can request a quote for Methyl 4-methyl-3-{[(4-methylphenyl)sulfonyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-methyl-3-{[(4-methylphenyl)sulfonyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-methyl-3-{[(4-methylphenyl)sulfonyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.