![methyl 2-chloro-5-{[N-(3-methoxyphenyl)-N-(methylsulfonyl)glycyl]amino}benzoate structure](/static/products/7067/706776-59-2.webp)
methyl 2-chloro-5-{[N-(3-methoxyphenyl)-N-(methylsulfonyl)glycyl]amino}benzoate
TL;DR: methyl 2-chloro-5-{[N-(3-methoxyphenyl)-N-(methylsulfonyl)glycyl]amino}benzoate (CAS 706776-59-2) is a chemical compound with molecular formula C18H19ClN2O6S and molecular weight 426.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-chloro-5-[[2-(3-methoxy-N-methylsulfonylanilino)acetyl]amino]benzoate
Also Known As: methyl 2-chloro-5-(2-(N-(3-methoxyphenyl)methylsulfonamido)acetamido)benzoate, methyl 2-chloro-5-[[2-(3-methoxy-N-methylsulfonylanilino)acetyl]amino]benzoate, methyl 2-chloro-5-{[N-(3-methoxyphenyl)-N-(methylsulfonyl)glycyl]amino}benzoate
| Molecular Formula | C18H19ClN2O6S |
|---|---|
| Molecular Weight | 426.07 g/mol |
| LogP | 2.5399 |
| Topological Polar Surface Area | 102.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.06525 |
| Heavy Atoms | 28 |
| Complexity | 993.3204 |
Chemical Identifiers
| CAS Number | 706776-59-2 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N(CC(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC)S(=O)(=O)C |
Product Overview
methyl 2-chloro-5-{[N-(3-methoxyphenyl)-N-(methylsulfonyl)glycyl]amino}benzoate (CAS 706776-59-2), with molecular formula C18H19ClN2O6S and molecular weight 426.07 g/mol. IUPAC: methyl 2-chloro-5-[[2-(3-methoxy-N-methylsulfonylanilino)acetyl]amino]benzoate.
Chemical Property Profile of methyl 2-chloro-5-{[N-(3-methoxyphenyl)-N-(methylsulfonyl)glycyl]amino}benzoate
Property Insights of methyl 2-chloro-5-{[N-(3-methoxyphenyl)-N-(methylsulfonyl)glycyl]amino}benzoate
The XLogP value of 2.5399 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-chloro-5-{[N-(3-methoxyphenyl)-N-(methylsulfonyl)glycyl]amino}benzoate. The TPSA of 102.01 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-chloro-5-{[N-(3-methoxyphenyl)-N-(methylsulfonyl)glycyl]amino}benzoate. Following Lipinski's Rule of Five, methyl 2-chloro-5-{[N-(3-methoxyphenyl)-N-(methylsulfonyl)glycyl]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 2-chloro-5-{[N-(3-methoxyphenyl)-N-(methylsulfonyl)glycyl]amino}benzoate?
The CAS number of methyl 2-chloro-5-{[N-(3-methoxyphenyl)-N-(methylsulfonyl)glycyl]amino}benzoate is 706776-59-2.
What is the molecular formula of methyl 2-chloro-5-{[N-(3-methoxyphenyl)-N-(methylsulfonyl)glycyl]amino}benzoate?
The molecular formula of methyl 2-chloro-5-{[N-(3-methoxyphenyl)-N-(methylsulfonyl)glycyl]amino}benzoate is C18H19ClN2O6S.
What is the molecular weight of methyl 2-chloro-5-{[N-(3-methoxyphenyl)-N-(methylsulfonyl)glycyl]amino}benzoate?
The molecular weight of methyl 2-chloro-5-{[N-(3-methoxyphenyl)-N-(methylsulfonyl)glycyl]amino}benzoate is 426.07 g/mol.
Where can I buy methyl 2-chloro-5-{[N-(3-methoxyphenyl)-N-(methylsulfonyl)glycyl]amino}benzoate?
You can request a quote for methyl 2-chloro-5-{[N-(3-methoxyphenyl)-N-(methylsulfonyl)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 2-chloro-5-{[N-(3-methoxyphenyl)-N-(methylsulfonyl)glycyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-chloro-5-{[N-(3-methoxyphenyl)-N-(methylsulfonyl)glycyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.