Verrucosin-A
TL;DR: Verrucosin-A (CAS 13333-86-3) is a chemical compound with molecular formula C14H13ClN4O6S and molecular weight 400.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(6-chloro-4-methyl-3-oxopyrazin-2-yl)carbamoylsulfamoyl]benzoate
Also Known As: Verrucosin-A, Benzoic acid, 2-(((((6-chloro-3,4-dihydro-4-methyl-3-oxopyrazinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester, methyl 2-{[(6-chloro-4-methyl-3-oxo-3,4-dihydropyrazin-2-yl)carbamoyl]sulfamoyl}benzoate, methyl 2-[(6-chloro-4-methyl-3-oxopyrazin-2-yl)carbamoylsulfamoyl]benzoate, Benzoic acid,2-[[[[(6-chloro-3,4-dihydro-4-methyl-3-oxo-2-pyrazinyl)amino]carbonyl]amino]sulfonyl]-,methyl ester
| Molecular Formula | C14H13ClN4O6S |
|---|---|
| Molecular Weight | 400.02 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.02444 |
| Heavy Atoms | 26 |
| Complexity | 773.0 |
Chemical Identifiers
| CAS Number | 13333-86-3 |
|---|---|
| SMILES | CN1C=C(N=C(C1=O)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)Cl |
| InChIKey | KODHGHOYQDJVMF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Verrucosin-A (CAS 13333-86-3), with molecular formula C14H13ClN4O6S and molecular weight 400.02 g/mol. IUPAC: methyl 2-[(6-chloro-4-methyl-3-oxopyrazin-2-yl)carbamoylsulfamoyl]benzoate.
Chemical Property Profile of Verrucosin-A
Property Insights of Verrucosin-A
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Verrucosin-A. The TPSA of 143.0 Ų indicates high polarity, suggesting Verrucosin-A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Verrucosin-A has 2 hydrogen bond donor(s) and 7 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 Verrucosin-A?
The CAS number of Verrucosin-A is 13333-86-3.
What is the molecular formula of Verrucosin-A?
The molecular formula of Verrucosin-A is C14H13ClN4O6S.
What is the molecular weight of Verrucosin-A?
The molecular weight of Verrucosin-A is 400.02 g/mol.
Where can I buy Verrucosin-A?
You can request a quote for Verrucosin-A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Verrucosin-A?
Yes, KEHONG BIO provides custom synthesis services for Verrucosin-A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.