methyl 4-methyl-3-(4-(N-methylmethylsulfonamido)benzamido)benzoate
TL;DR: methyl 4-methyl-3-(4-(N-methylmethylsulfonamido)benzamido)benzoate (CAS 694488-49-8) is a chemical compound with molecular formula C18H20N2O5S and molecular weight 376.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-methyl-3-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]benzoate
Also Known As: methyl 4-methyl-3-(4-(N-methylmethylsulfonamido)benzamido)benzoate, methyl 4-methyl-3-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]benzoate, methyl 4-methyl-3-[({4-[methyl(methylsulfonyl)amino]phenyl}carbonyl)amino]benzoate
| Molecular Formula | C18H20N2O5S |
|---|---|
| Molecular Weight | 376.11 g/mol |
| LogP | 2.42972 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.10928 |
| Heavy Atoms | 26 |
| Complexity | 936.55383 |
Chemical Identifiers
| CAS Number | 694488-49-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C |
Product Overview
methyl 4-methyl-3-(4-(N-methylmethylsulfonamido)benzamido)benzoate (CAS 694488-49-8), with molecular formula C18H20N2O5S and molecular weight 376.11 g/mol. IUPAC: methyl 4-methyl-3-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]benzoate.
Chemical Property Profile of methyl 4-methyl-3-(4-(N-methylmethylsulfonamido)benzamido)benzoate
Property Insights of methyl 4-methyl-3-(4-(N-methylmethylsulfonamido)benzamido)benzoate
The XLogP value of 2.42972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-methyl-3-(4-(N-methylmethylsulfonamido)benzamido)benzoate. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-methyl-3-(4-(N-methylmethylsulfonamido)benzamido)benzoate. Following Lipinski's Rule of Five, methyl 4-methyl-3-(4-(N-methylmethylsulfonamido)benzamido)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-methyl-3-(4-(N-methylmethylsulfonamido)benzamido)benzoate?
The CAS number of methyl 4-methyl-3-(4-(N-methylmethylsulfonamido)benzamido)benzoate is 694488-49-8.
What is the molecular formula of methyl 4-methyl-3-(4-(N-methylmethylsulfonamido)benzamido)benzoate?
The molecular formula of methyl 4-methyl-3-(4-(N-methylmethylsulfonamido)benzamido)benzoate is C18H20N2O5S.
What is the molecular weight of methyl 4-methyl-3-(4-(N-methylmethylsulfonamido)benzamido)benzoate?
The molecular weight of methyl 4-methyl-3-(4-(N-methylmethylsulfonamido)benzamido)benzoate is 376.11 g/mol.
Where can I buy methyl 4-methyl-3-(4-(N-methylmethylsulfonamido)benzamido)benzoate?
You can request a quote for methyl 4-methyl-3-(4-(N-methylmethylsulfonamido)benzamido)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-methyl-3-(4-(N-methylmethylsulfonamido)benzamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-methyl-3-(4-(N-methylmethylsulfonamido)benzamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.