![Benzoic acid, 4-chloro-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, 1-methylethyl ester structure](/static/products/1029/102995-99-3.webp)
Benzoic acid, 4-chloro-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, 1-methylethyl ester
TL;DR: Benzoic acid, 4-chloro-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, 1-methylethyl ester (CAS 102995-99-3) is a chemical compound with molecular formula C16H18ClN5O6S and molecular weight 443.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-chloro-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
Also Known As: Benzoic acid, 4-chloro-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, 1-methylethyl ester, Propan-2-yl 4-chloro-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate, Benzoic acid, 4-chloro-2-(((((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-, 1-methylethyl ester, 1-Methylethyl 4-chloro-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]benzoate, Chloro-2-(((((4-methoxy-6-methyl-1,3,5-triazine-2-yl)-amino)carbonyl)amino)sulfonyl)benzoic acid, 1-methylethyl ester, 4-
| Molecular Formula | C16H18ClN5O6S |
|---|---|
| Molecular Weight | 443.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.06662 |
| Heavy Atoms | 29 |
| Complexity | 688.0 |
Chemical Identifiers
| CAS Number | 102995-99-3 |
|---|---|
| SMILES | CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)Cl)C(=O)OC(C)C |
| InChIKey | NDIMSSNVYYPECZ-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-chloro-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, 1-methylethyl ester (CAS 102995-99-3), with molecular formula C16H18ClN5O6S and molecular weight 443.07 g/mol. IUPAC: propan-2-yl 4-chloro-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate.
Chemical Property Profile of Benzoic acid, 4-chloro-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, 1-methylethyl ester
Property Insights of Benzoic acid, 4-chloro-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, 1-methylethyl ester
The XLogP value of 3.0 indicates that Benzoic acid, 4-chloro-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, 1-methylethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.0 Ų indicates high polarity, suggesting Benzoic acid, 4-chloro-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, 1-methylethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoic acid, 4-chloro-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, 1-methylethyl ester has 2 hydrogen bond donor(s) and 9 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 Benzoic acid, 4-chloro-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, 1-methylethyl ester?
The CAS number of Benzoic acid, 4-chloro-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, 1-methylethyl ester is 102995-99-3.
What is the molecular formula of Benzoic acid, 4-chloro-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, 1-methylethyl ester?
The molecular formula of Benzoic acid, 4-chloro-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, 1-methylethyl ester is C16H18ClN5O6S.
What is the molecular weight of Benzoic acid, 4-chloro-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, 1-methylethyl ester?
The molecular weight of Benzoic acid, 4-chloro-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, 1-methylethyl ester is 443.07 g/mol.
Where can I buy Benzoic acid, 4-chloro-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, 1-methylethyl ester?
You can request a quote for Benzoic acid, 4-chloro-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, 1-methylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-chloro-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, 1-methylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-chloro-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, 1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.