BAS 03538598
TL;DR: BAS 03538598 (CAS 440088-22-2) is a chemical compound with molecular formula C20H22Cl2N4O3S and molecular weight 468.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,2-dichloroethenyl)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide
Also Known As: BAS 03538598, 3-(2,2-dichloroethenyl)-N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}-2,2-dimethylcyclopropane-1-carboxamide, 3-(2,2-dichloroethenyl)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide, 3-(2,2-dichloroethenyl)-N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}-2,2-dimethylcyclopropanecarboxamide, 3-(2,2-dichlorovinyl)-N-(4-(N-(2,6-dimethylpyrimidin-4-yl)sulfamoyl)phenyl)-2,2-dimethylcyclopropanecarboxamide
| Molecular Formula | C20H22Cl2N4O3S |
|---|---|
| Molecular Weight | 468.08 g/mol |
| LogP | 4.42394 |
| Topological Polar Surface Area | 101.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 468.07898 |
| Heavy Atoms | 30 |
| Complexity | 1091.1216 |
Chemical Identifiers
| CAS Number | 440088-22-2 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3C(C3(C)C)C=C(Cl)Cl |
Product Overview
BAS 03538598 (CAS 440088-22-2), with molecular formula C20H22Cl2N4O3S and molecular weight 468.08 g/mol. IUPAC: 3-(2,2-dichloroethenyl)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide.
Chemical Property Profile of BAS 03538598
Property Insights of BAS 03538598
The XLogP value of 4.42394 indicates that BAS 03538598 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.05 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03538598. Following Lipinski's Rule of Five, BAS 03538598 has 2 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 BAS 03538598?
The CAS number of BAS 03538598 is 440088-22-2.
What is the molecular formula of BAS 03538598?
The molecular formula of BAS 03538598 is C20H22Cl2N4O3S.
What is the molecular weight of BAS 03538598?
The molecular weight of BAS 03538598 is 468.08 g/mol.
Where can I buy BAS 03538598?
You can request a quote for BAS 03538598 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03538598?
Yes, KEHONG BIO provides custom synthesis services for BAS 03538598 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.