![methyl 4-chloro-3-({N-(methylsulfonyl)-N-[4-(propan-2-yl)phenyl]glycyl}amino)benzoate structure](/static/products/7012/701287-16-3.webp)
methyl 4-chloro-3-({N-(methylsulfonyl)-N-[4-(propan-2-yl)phenyl]glycyl}amino)benzoate
TL;DR: methyl 4-chloro-3-({N-(methylsulfonyl)-N-[4-(propan-2-yl)phenyl]glycyl}amino)benzoate (CAS 701287-16-3) is a chemical compound with molecular formula C20H23ClN2O5S and molecular weight 438.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-chloro-3-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)acetyl]amino]benzoate
Also Known As: methyl 4-chloro-3-({N-(methylsulfonyl)-N-[4-(propan-2-yl)phenyl]glycyl}amino)benzoate, methyl 4-chloro-3-(2-(N-(4-isopropylphenyl)methylsulfonamido)acetamido)benzoate, methyl 4-chloro-3-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)acetyl]amino]benzoate
| Molecular Formula | C20H23ClN2O5S |
|---|---|
| Molecular Weight | 438.10 g/mol |
| LogP | 3.6547 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 438.10162 |
| Heavy Atoms | 29 |
| Complexity | 1004.0317 |
Chemical Identifiers
| CAS Number | 701287-16-3 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)S(=O)(=O)C |
Product Overview
methyl 4-chloro-3-({N-(methylsulfonyl)-N-[4-(propan-2-yl)phenyl]glycyl}amino)benzoate (CAS 701287-16-3), with molecular formula C20H23ClN2O5S and molecular weight 438.10 g/mol. IUPAC: methyl 4-chloro-3-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)acetyl]amino]benzoate.
Chemical Property Profile of methyl 4-chloro-3-({N-(methylsulfonyl)-N-[4-(propan-2-yl)phenyl]glycyl}amino)benzoate
Property Insights of methyl 4-chloro-3-({N-(methylsulfonyl)-N-[4-(propan-2-yl)phenyl]glycyl}amino)benzoate
The XLogP value of 3.6547 indicates that methyl 4-chloro-3-({N-(methylsulfonyl)-N-[4-(propan-2-yl)phenyl]glycyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-chloro-3-({N-(methylsulfonyl)-N-[4-(propan-2-yl)phenyl]glycyl}amino)benzoate. Following Lipinski's Rule of Five, methyl 4-chloro-3-({N-(methylsulfonyl)-N-[4-(propan-2-yl)phenyl]glycyl}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-chloro-3-({N-(methylsulfonyl)-N-[4-(propan-2-yl)phenyl]glycyl}amino)benzoate?
The CAS number of methyl 4-chloro-3-({N-(methylsulfonyl)-N-[4-(propan-2-yl)phenyl]glycyl}amino)benzoate is 701287-16-3.
What is the molecular formula of methyl 4-chloro-3-({N-(methylsulfonyl)-N-[4-(propan-2-yl)phenyl]glycyl}amino)benzoate?
The molecular formula of methyl 4-chloro-3-({N-(methylsulfonyl)-N-[4-(propan-2-yl)phenyl]glycyl}amino)benzoate is C20H23ClN2O5S.
What is the molecular weight of methyl 4-chloro-3-({N-(methylsulfonyl)-N-[4-(propan-2-yl)phenyl]glycyl}amino)benzoate?
The molecular weight of methyl 4-chloro-3-({N-(methylsulfonyl)-N-[4-(propan-2-yl)phenyl]glycyl}amino)benzoate is 438.10 g/mol.
Where can I buy methyl 4-chloro-3-({N-(methylsulfonyl)-N-[4-(propan-2-yl)phenyl]glycyl}amino)benzoate?
You can request a quote for methyl 4-chloro-3-({N-(methylsulfonyl)-N-[4-(propan-2-yl)phenyl]glycyl}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-chloro-3-({N-(methylsulfonyl)-N-[4-(propan-2-yl)phenyl]glycyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-chloro-3-({N-(methylsulfonyl)-N-[4-(propan-2-yl)phenyl]glycyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.