ChemDiv1_024057
TL;DR: ChemDiv1_024057 (CAS 369399-13-3) is a chemical compound with molecular formula C16H12N4O3S and molecular weight 340.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-ethylphenyl)-11-methyl-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_024057, BAS 03013626, AF-399/40713313, 7-(4-ethylphenyl)-3-methyl-4H,6H-pyrrolo[3',4':4,5][1,3]thiazolo[2,3-c][1,2,4]triazine-4,6,8(7H)-trione, 2-(4-ethylphenyl)-7-methylpyrrolo[3,4][1,3]thiazolo[1,4-b][1,2,4]triazine-1,3,8-trione
| Molecular Formula | C16H12N4O3S |
|---|---|
| Molecular Weight | 340.06 g/mol |
| LogP | 1.82242 |
| Topological Polar Surface Area | 84.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.06302 |
| Heavy Atoms | 24 |
| Complexity | 1065.3563 |
Chemical Identifiers
| CAS Number | 369399-13-3 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)SC4=NN=C(C(=O)N34)C |
Product Overview
ChemDiv1_024057 (CAS 369399-13-3), with molecular formula C16H12N4O3S and molecular weight 340.06 g/mol. IUPAC: 4-(4-ethylphenyl)-11-methyl-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_024057
Property Insights of ChemDiv1_024057
The XLogP value of 1.82242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_024057. The TPSA of 84.64 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_024057. Following Lipinski's Rule of Five, ChemDiv1_024057 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_024057?
The CAS number of ChemDiv1_024057 is 369399-13-3.
What is the molecular formula of ChemDiv1_024057?
The molecular formula of ChemDiv1_024057 is C16H12N4O3S.
What is the molecular weight of ChemDiv1_024057?
The molecular weight of ChemDiv1_024057 is 340.06 g/mol.
Where can I buy ChemDiv1_024057?
You can request a quote for ChemDiv1_024057 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_024057?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_024057 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.