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Methyl 4-({[4-(acetylamino)phenyl]sulfonyl}amino)benzoate
TL;DR: Methyl 4-({[4-(acetylamino)phenyl]sulfonyl}amino)benzoate (CAS 135285-82-4) is a chemical compound with molecular formula C16H16N2O5S and molecular weight 348.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(4-acetamidophenyl)sulfonylamino]benzoate
Also Known As: BAS 00628016, methyl 4-({[4-(acetylamino)phenyl]sulfonyl}amino)benzoate, methyl 4-[(4-acetamidophenyl)sulfonylamino]benzoate, Methyl 4-[[[4-(acetylamino)phenyl]sulfonyl]amino]benzoate, AB00079180-01
| Molecular Formula | C16H16N2O5S |
|---|---|
| Molecular Weight | 348.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.078 |
| Heavy Atoms | 24 |
| Complexity | 541.0 |
Chemical Identifiers
| CAS Number | 135285-82-4 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OC |
| InChIKey | FFCHNXCSDZOMAB-UHFFFAOYSA-N |
Product Overview
Methyl 4-({[4-(acetylamino)phenyl]sulfonyl}amino)benzoate (CAS 135285-82-4), with molecular formula C16H16N2O5S and molecular weight 348.08 g/mol. IUPAC: methyl 4-[(4-acetamidophenyl)sulfonylamino]benzoate.
Chemical Property Profile of Methyl 4-({[4-(acetylamino)phenyl]sulfonyl}amino)benzoate
Property Insights of Methyl 4-({[4-(acetylamino)phenyl]sulfonyl}amino)benzoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-({[4-(acetylamino)phenyl]sulfonyl}amino)benzoate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-({[4-(acetylamino)phenyl]sulfonyl}amino)benzoate. Following Lipinski's Rule of Five, Methyl 4-({[4-(acetylamino)phenyl]sulfonyl}amino)benzoate has 2 hydrogen bond donor(s) and 6 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-(acetylamino)phenyl]sulfonyl}amino)benzoate?
The CAS number of Methyl 4-({[4-(acetylamino)phenyl]sulfonyl}amino)benzoate is 135285-82-4.
What is the molecular formula of Methyl 4-({[4-(acetylamino)phenyl]sulfonyl}amino)benzoate?
The molecular formula of Methyl 4-({[4-(acetylamino)phenyl]sulfonyl}amino)benzoate is C16H16N2O5S.
What is the molecular weight of Methyl 4-({[4-(acetylamino)phenyl]sulfonyl}amino)benzoate?
The molecular weight of Methyl 4-({[4-(acetylamino)phenyl]sulfonyl}amino)benzoate is 348.08 g/mol.
Where can I buy Methyl 4-({[4-(acetylamino)phenyl]sulfonyl}amino)benzoate?
You can request a quote for Methyl 4-({[4-(acetylamino)phenyl]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-({[4-(acetylamino)phenyl]sulfonyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-({[4-(acetylamino)phenyl]sulfonyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.