Methyl 4-(4-aminophenyl)sulfonylbenzoate
TL;DR: Methyl 4-(4-aminophenyl)sulfonylbenzoate (CAS 34037-45-1) is a chemical compound with molecular formula C14H13NO4S and molecular weight 291.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-aminophenyl)sulfonylbenzoate
Also Known As: Methyl 4-(4-aminophenyl)sulfonylbenzoate, 4-[ sulfonyl]benzoicacidmethylester, methyl 4-(4-aminobenzenesulfonyl)benzoate, methyl 4-[(4-aminophenyl)sulfonyl]benzoate, Methyl 4-(4-aminobenzene-1-sulfonyl)benzoate
| Molecular Formula | C14H13NO4S |
|---|---|
| Molecular Weight | 291.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.05652 |
| Heavy Atoms | 20 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 34037-45-1 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N |
| InChIKey | OXLZNOBNSVJNLO-UHFFFAOYSA-N |
Product Overview
Methyl 4-(4-aminophenyl)sulfonylbenzoate (CAS 34037-45-1), with molecular formula C14H13NO4S and molecular weight 291.06 g/mol. IUPAC: methyl 4-(4-aminophenyl)sulfonylbenzoate.
Chemical Property Profile of Methyl 4-(4-aminophenyl)sulfonylbenzoate
Property Insights of Methyl 4-(4-aminophenyl)sulfonylbenzoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(4-aminophenyl)sulfonylbenzoate. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(4-aminophenyl)sulfonylbenzoate. Following Lipinski's Rule of Five, Methyl 4-(4-aminophenyl)sulfonylbenzoate has 1 hydrogen bond donor(s) and 5 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-(4-aminophenyl)sulfonylbenzoate?
The CAS number of Methyl 4-(4-aminophenyl)sulfonylbenzoate is 34037-45-1.
What is the molecular formula of Methyl 4-(4-aminophenyl)sulfonylbenzoate?
The molecular formula of Methyl 4-(4-aminophenyl)sulfonylbenzoate is C14H13NO4S.
What is the molecular weight of Methyl 4-(4-aminophenyl)sulfonylbenzoate?
The molecular weight of Methyl 4-(4-aminophenyl)sulfonylbenzoate is 291.06 g/mol.
Where can I buy Methyl 4-(4-aminophenyl)sulfonylbenzoate?
You can request a quote for Methyl 4-(4-aminophenyl)sulfonylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(4-aminophenyl)sulfonylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(4-aminophenyl)sulfonylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.