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Methyl 5-chloro-2-methoxy-4-[(phenylsulfonyl)amino]benzoate
TL;DR: Methyl 5-chloro-2-methoxy-4-[(phenylsulfonyl)amino]benzoate (CAS 345987-86-2) is a chemical compound with molecular formula C15H14ClNO5S and molecular weight 355.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(benzenesulfonamido)-5-chloro-2-methoxybenzoate
Also Known As: Methyl 5-chloro-2-methoxy-4-[(phenylsulfonyl)amino]benzoate, methyl 4-(benzenesulfonamido)-5-chloro-2-methoxybenzoate, methyl 5-chloro-2-methoxy-4-(phenylsulfonamido)benzoate, A2685/0114477, METHYL 4-BENZENESULFONAMIDO-5-CHLORO-2-METHOXYBENZOATE
| Molecular Formula | C15H14ClNO5S |
|---|---|
| Molecular Weight | 355.03 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 90.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 355.0281 |
| Heavy Atoms | 23 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 345987-86-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C(=O)OC)Cl)NS(=O)(=O)C2=CC=CC=C2 |
| InChIKey | AEQVSNRZXZYCGV-UHFFFAOYSA-N |
Product Overview
Methyl 5-chloro-2-methoxy-4-[(phenylsulfonyl)amino]benzoate (CAS 345987-86-2), with molecular formula C15H14ClNO5S and molecular weight 355.03 g/mol. IUPAC: methyl 4-(benzenesulfonamido)-5-chloro-2-methoxybenzoate.
Chemical Property Profile of Methyl 5-chloro-2-methoxy-4-[(phenylsulfonyl)amino]benzoate
Property Insights of Methyl 5-chloro-2-methoxy-4-[(phenylsulfonyl)amino]benzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-chloro-2-methoxy-4-[(phenylsulfonyl)amino]benzoate. The TPSA of 90.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-chloro-2-methoxy-4-[(phenylsulfonyl)amino]benzoate. Following Lipinski's Rule of Five, Methyl 5-chloro-2-methoxy-4-[(phenylsulfonyl)amino]benzoate has 1 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 5-chloro-2-methoxy-4-[(phenylsulfonyl)amino]benzoate?
The CAS number of Methyl 5-chloro-2-methoxy-4-[(phenylsulfonyl)amino]benzoate is 345987-86-2.
What is the molecular formula of Methyl 5-chloro-2-methoxy-4-[(phenylsulfonyl)amino]benzoate?
The molecular formula of Methyl 5-chloro-2-methoxy-4-[(phenylsulfonyl)amino]benzoate is C15H14ClNO5S.
What is the molecular weight of Methyl 5-chloro-2-methoxy-4-[(phenylsulfonyl)amino]benzoate?
The molecular weight of Methyl 5-chloro-2-methoxy-4-[(phenylsulfonyl)amino]benzoate is 355.03 g/mol.
Where can I buy Methyl 5-chloro-2-methoxy-4-[(phenylsulfonyl)amino]benzoate?
You can request a quote for Methyl 5-chloro-2-methoxy-4-[(phenylsulfonyl)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 5-chloro-2-methoxy-4-[(phenylsulfonyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-chloro-2-methoxy-4-[(phenylsulfonyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.