ChemDiv1_011634
TL;DR: ChemDiv1_011634 (CAS 5769-40-4) is a chemical compound with molecular formula C19H20N4O4S and molecular weight 400.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
Also Known As: ChemDiv1_011634, BAS 01174226, 4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide, A2061/0086717, 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
| Molecular Formula | C19H20N4O4S |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | 2.26542 |
| Topological Polar Surface Area | 109.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.1205 |
| Heavy Atoms | 28 |
| Complexity | 1012.1541 |
Chemical Identifiers
| CAS Number | 5769-40-4 |
|---|---|
| SMILES | CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4CCCCC4C3=O |
Product Overview
ChemDiv1_011634 (CAS 5769-40-4), with molecular formula C19H20N4O4S and molecular weight 400.12 g/mol. IUPAC: 4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide.
Chemical Property Profile of ChemDiv1_011634
Property Insights of ChemDiv1_011634
The XLogP value of 2.26542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_011634. The TPSA of 109.33 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_011634. Following Lipinski's Rule of Five, ChemDiv1_011634 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 ChemDiv1_011634?
The CAS number of ChemDiv1_011634 is 5769-40-4.
What is the molecular formula of ChemDiv1_011634?
The molecular formula of ChemDiv1_011634 is C19H20N4O4S.
What is the molecular weight of ChemDiv1_011634?
The molecular weight of ChemDiv1_011634 is 400.12 g/mol.
Where can I buy ChemDiv1_011634?
You can request a quote for ChemDiv1_011634 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_011634?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_011634 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.