![Methyl 4-{[3-chloro-2-(ethylsulfonyl)-2-methylpropanoyl]amino}benzoate structure](/static/products/174/174812-40-9.png)
Methyl 4-{[3-chloro-2-(ethylsulfonyl)-2-methylpropanoyl]amino}benzoate
TL;DR: Methyl 4-{[3-chloro-2-(ethylsulfonyl)-2-methylpropanoyl]amino}benzoate (CAS 174812-40-9) is a chemical compound with molecular formula C14H18ClNO5S and molecular weight 347.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3-chloro-2-ethylsulfonyl-2-methylpropanoyl)amino]benzoate
Also Known As: methyl 4-(3-chloro-2-(ethylsulfonyl)-2-methylpropanamido)benzoate, Methyl 4-([3-chloro-2-(ethylsulfonyl)-2-methylpropanoyl]amino)benzoate #, methyl 4-[(3-chloro-2-ethylsulfonyl-2-methylpropanoyl)amino]benzoate, methyl 4-{[3-chloro-2-(ethylsulfonyl)-2-methylpropanoyl]amino}benzoate, 4-(3-Chloro-2-ethanesulfonyl-2-methyl-propionylamino)-benzoic acid methyl ester
| Molecular Formula | C14H18ClNO5S |
|---|---|
| Molecular Weight | 347.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 97.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 347.05942 |
| Heavy Atoms | 22 |
| Complexity | 508.0 |
Chemical Identifiers
| CAS Number | 174812-40-9 |
|---|---|
| SMILES | CCS(=O)(=O)C(C)(CCl)C(=O)NC1=CC=C(C=C1)C(=O)OC |
| InChIKey | BNFVVQFQKLDZCV-UHFFFAOYSA-N |
Product Overview
Methyl 4-{[3-chloro-2-(ethylsulfonyl)-2-methylpropanoyl]amino}benzoate (CAS 174812-40-9), with molecular formula C14H18ClNO5S and molecular weight 347.06 g/mol. IUPAC: methyl 4-[(3-chloro-2-ethylsulfonyl-2-methylpropanoyl)amino]benzoate.
Chemical Property Profile of Methyl 4-{[3-chloro-2-(ethylsulfonyl)-2-methylpropanoyl]amino}benzoate
Property Insights of Methyl 4-{[3-chloro-2-(ethylsulfonyl)-2-methylpropanoyl]amino}benzoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-{[3-chloro-2-(ethylsulfonyl)-2-methylpropanoyl]amino}benzoate. The TPSA of 97.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-{[3-chloro-2-(ethylsulfonyl)-2-methylpropanoyl]amino}benzoate. Following Lipinski's Rule of Five, Methyl 4-{[3-chloro-2-(ethylsulfonyl)-2-methylpropanoyl]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-{[3-chloro-2-(ethylsulfonyl)-2-methylpropanoyl]amino}benzoate?
The CAS number of Methyl 4-{[3-chloro-2-(ethylsulfonyl)-2-methylpropanoyl]amino}benzoate is 174812-40-9.
What is the molecular formula of Methyl 4-{[3-chloro-2-(ethylsulfonyl)-2-methylpropanoyl]amino}benzoate?
The molecular formula of Methyl 4-{[3-chloro-2-(ethylsulfonyl)-2-methylpropanoyl]amino}benzoate is C14H18ClNO5S.
What is the molecular weight of Methyl 4-{[3-chloro-2-(ethylsulfonyl)-2-methylpropanoyl]amino}benzoate?
The molecular weight of Methyl 4-{[3-chloro-2-(ethylsulfonyl)-2-methylpropanoyl]amino}benzoate is 347.06 g/mol.
Where can I buy Methyl 4-{[3-chloro-2-(ethylsulfonyl)-2-methylpropanoyl]amino}benzoate?
You can request a quote for Methyl 4-{[3-chloro-2-(ethylsulfonyl)-2-methylpropanoyl]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-{[3-chloro-2-(ethylsulfonyl)-2-methylpropanoyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{[3-chloro-2-(ethylsulfonyl)-2-methylpropanoyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.