ChemDiv1_024231
TL;DR: ChemDiv1_024231 (CAS 347366-58-9) is a chemical compound with molecular formula C19H9ClN4O3S and molecular weight 408.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-chlorophenyl)-11-phenyl-7-thia-1,4,9,10-tetrazatricyclo[6.4.0.02,6]dodeca-2(6),8,10-triene-3,5,12-trione
Also Known As: ChemDiv1_024231, VU0060950-1, AE-641/15338068, 7-(2-chlorophenyl)-3-phenyl-4H,6H-pyrrolo[3',4':4,5][1,3]thiazolo[2,3-c][1,2,4]triazine-4,6,8(7H)-trione, 7-(2-chlorophenyl)-3-phenylazolino[3,4-d]1,2,4-triazino[3,4-b]1,3-thiazoline-4 ,6,8-trione
| Molecular Formula | C19H9ClN4O3S |
|---|---|
| Molecular Weight | 408.01 g/mol |
| LogP | 3.272 |
| Topological Polar Surface Area | 84.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 408.0084 |
| Heavy Atoms | 28 |
| Complexity | 1346.5552 |
Chemical Identifiers
| CAS Number | 347366-58-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=C3N(C2=O)C4=C(S3)C(=O)N(C4=O)C5=CC=CC=C5Cl |
Product Overview
ChemDiv1_024231 (CAS 347366-58-9), with molecular formula C19H9ClN4O3S and molecular weight 408.01 g/mol. IUPAC: 4-(2-chlorophenyl)-11-phenyl-7-thia-1,4,9,10-tetrazatricyclo[6.4.0.02,6]dodeca-2(6),8,10-triene-3,5,12-trione.
Chemical Property Profile of ChemDiv1_024231
Property Insights of ChemDiv1_024231
The XLogP value of 3.272 indicates that ChemDiv1_024231 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.64 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_024231. Following Lipinski's Rule of Five, ChemDiv1_024231 has 0 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_024231?
The CAS number of ChemDiv1_024231 is 347366-58-9.
What is the molecular formula of ChemDiv1_024231?
The molecular formula of ChemDiv1_024231 is C19H9ClN4O3S.
What is the molecular weight of ChemDiv1_024231?
The molecular weight of ChemDiv1_024231 is 408.01 g/mol.
Where can I buy ChemDiv1_024231?
You can request a quote for ChemDiv1_024231 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_024231?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_024231 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.