Methyl 3-amino-4-(benzenesulfonyl)benzoate
TL;DR: Methyl 3-amino-4-(benzenesulfonyl)benzoate (CAS 478249-92-2) 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 3-amino-4-(benzenesulfonyl)benzoate
Also Known As: methyl 3-amino-4-(benzenesulfonyl)benzoate, methyl 3-amino-4-(phenylsulfonyl)benzenecarboxylate, methyl3-amino-4-(benzenesulfonyl)benzoate
| Molecular Formula | C14H13NO4S |
|---|---|
| Molecular Weight | 291.06 g/mol |
| LogP | 1.8882 |
| Topological Polar Surface Area | 86.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.05652 |
| Heavy Atoms | 20 |
| Complexity | 739.0242 |
Chemical Identifiers
| CAS Number | 478249-92-2 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)S(=O)(=O)C2=CC=CC=C2)N |
Product Overview
Methyl 3-amino-4-(benzenesulfonyl)benzoate (CAS 478249-92-2), with molecular formula C14H13NO4S and molecular weight 291.06 g/mol. IUPAC: methyl 3-amino-4-(benzenesulfonyl)benzoate.
Chemical Property Profile of Methyl 3-amino-4-(benzenesulfonyl)benzoate
Property Insights of Methyl 3-amino-4-(benzenesulfonyl)benzoate
The XLogP value of 1.8882 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-amino-4-(benzenesulfonyl)benzoate. The TPSA of 86.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-amino-4-(benzenesulfonyl)benzoate. Following Lipinski's Rule of Five, Methyl 3-amino-4-(benzenesulfonyl)benzoate 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 3-amino-4-(benzenesulfonyl)benzoate?
The CAS number of Methyl 3-amino-4-(benzenesulfonyl)benzoate is 478249-92-2.
What is the molecular formula of Methyl 3-amino-4-(benzenesulfonyl)benzoate?
The molecular formula of Methyl 3-amino-4-(benzenesulfonyl)benzoate is C14H13NO4S.
What is the molecular weight of Methyl 3-amino-4-(benzenesulfonyl)benzoate?
The molecular weight of Methyl 3-amino-4-(benzenesulfonyl)benzoate is 291.06 g/mol.
Where can I buy Methyl 3-amino-4-(benzenesulfonyl)benzoate?
You can request a quote for Methyl 3-amino-4-(benzenesulfonyl)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-amino-4-(benzenesulfonyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-amino-4-(benzenesulfonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.