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Methyl 4-{[(phenylsulfonyl)acetyl]amino}benzoate
TL;DR: Methyl 4-{[(phenylsulfonyl)acetyl]amino}benzoate (CAS 674808-12-9) is a chemical compound with molecular formula C16H15NO5S and molecular weight 333.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-(benzenesulfonyl)acetyl]amino]benzoate
Also Known As: methyl 4-{[(phenylsulfonyl)acetyl]amino}benzoate, methyl 4-(2-(phenylsulfonyl)acetamido)benzoate, methyl 4-[2-(phenylsulfonyl)acetylamino]benzoate, methyl 4-[[2-(benzenesulfonyl)acetyl]amino]benzoate, METHYL 4-{[2-(PHENYLSULFONYL)ACETYL]AMINO}BENZOATE
| Molecular Formula | C16H15NO5S |
|---|---|
| Molecular Weight | 333.07 g/mol |
| LogP | 1.8856 |
| Topological Polar Surface Area | 89.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.0671 |
| Heavy Atoms | 23 |
| Complexity | 798.1241 |
Chemical Identifiers
| CAS Number | 674808-12-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CS(=O)(=O)C2=CC=CC=C2 |
Product Overview
Methyl 4-{[(phenylsulfonyl)acetyl]amino}benzoate (CAS 674808-12-9), with molecular formula C16H15NO5S and molecular weight 333.07 g/mol. IUPAC: methyl 4-[[2-(benzenesulfonyl)acetyl]amino]benzoate.
Chemical Property Profile of Methyl 4-{[(phenylsulfonyl)acetyl]amino}benzoate
Property Insights of Methyl 4-{[(phenylsulfonyl)acetyl]amino}benzoate
The XLogP value of 1.8856 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-{[(phenylsulfonyl)acetyl]amino}benzoate. The TPSA of 89.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-{[(phenylsulfonyl)acetyl]amino}benzoate. Following Lipinski's Rule of Five, Methyl 4-{[(phenylsulfonyl)acetyl]amino}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 4-{[(phenylsulfonyl)acetyl]amino}benzoate?
The CAS number of Methyl 4-{[(phenylsulfonyl)acetyl]amino}benzoate is 674808-12-9.
What is the molecular formula of Methyl 4-{[(phenylsulfonyl)acetyl]amino}benzoate?
The molecular formula of Methyl 4-{[(phenylsulfonyl)acetyl]amino}benzoate is C16H15NO5S.
What is the molecular weight of Methyl 4-{[(phenylsulfonyl)acetyl]amino}benzoate?
The molecular weight of Methyl 4-{[(phenylsulfonyl)acetyl]amino}benzoate is 333.07 g/mol.
Where can I buy Methyl 4-{[(phenylsulfonyl)acetyl]amino}benzoate?
You can request a quote for Methyl 4-{[(phenylsulfonyl)acetyl]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-{[(phenylsulfonyl)acetyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{[(phenylsulfonyl)acetyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.