ChemDiv1_010315
TL;DR: ChemDiv1_010315 (CAS 431918-18-2) is a chemical compound with molecular formula C18H18N4O4S and molecular weight 386.10 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-pyrimidin-2-ylbenzenesulfonamide
Also Known As: ChemDiv1_010315, AB00116476-01, AI-981/40918646, 4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-pyrimidin-2-ylbenzenesulfonamide, 4-(1,3-dioxo-hexahydro-1h-isoindol-2(3h)-yl)-N-(pyrimidin-2-yl)benzenesulfonamide
| Molecular Formula | C18H18N4O4S |
|---|---|
| Molecular Weight | 386.10 g/mol |
| LogP | 1.957 |
| Topological Polar Surface Area | 109.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.1049 |
| Heavy Atoms | 27 |
| Complexity | 952.181 |
Chemical Identifiers
| CAS Number | 431918-18-2 |
|---|---|
| SMILES | C1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4 |
Product Overview
ChemDiv1_010315 (CAS 431918-18-2), with molecular formula C18H18N4O4S and molecular weight 386.10 g/mol. IUPAC: 4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-pyrimidin-2-ylbenzenesulfonamide.
Chemical Property Profile of ChemDiv1_010315
Property Insights of ChemDiv1_010315
The XLogP value of 1.957 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_010315. The TPSA of 109.33 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010315. Following Lipinski's Rule of Five, ChemDiv1_010315 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_010315?
The CAS number of ChemDiv1_010315 is 431918-18-2.
What is the molecular formula of ChemDiv1_010315?
The molecular formula of ChemDiv1_010315 is C18H18N4O4S.
What is the molecular weight of ChemDiv1_010315?
The molecular weight of ChemDiv1_010315 is 386.10 g/mol.
Where can I buy ChemDiv1_010315?
You can request a quote for ChemDiv1_010315 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010315?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010315 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.