ChemDiv1_023946
TL;DR: ChemDiv1_023946 (CAS 307545-44-4) is a chemical compound with molecular formula C17H8N4O3S2 and molecular weight 380.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-11-thiophen-2-yl-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_023946, 2-phenyl-7-thiophen-2-ylpyrrolo[3,4][1,3]thiazolo[1,4-b][1,2,4]triazine-1,3,8-trione, 7-phenyl-3-(thiophen-2-yl)-4H,6H-pyrrolo[3',4':4,5][1,3]thiazolo[2,3-c][1,2,4]triazine-4,6,8(7H)-trione, 7-phenyl-3-(thiophen-2-yl)pyrrolo[3',4':4,5]thiazolo[2,3-c][1,2,4]triazine-4,6,8(7H)-trione
| Molecular Formula | C17H8N4O3S2 |
|---|---|
| Molecular Weight | 380.00 g/mol |
| LogP | 2.6801 |
| Topological Polar Surface Area | 84.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 380.00378 |
| Heavy Atoms | 26 |
| Complexity | 1242.4978 |
Chemical Identifiers
| CAS Number | 307545-44-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)SC4=NN=C(C(=O)N34)C5=CC=CS5 |
Product Overview
ChemDiv1_023946 (CAS 307545-44-4), with molecular formula C17H8N4O3S2 and molecular weight 380.00 g/mol. IUPAC: 4-phenyl-11-thiophen-2-yl-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_023946
Property Insights of ChemDiv1_023946
The XLogP value of 2.6801 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_023946. The TPSA of 84.64 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_023946. Following Lipinski's Rule of Five, ChemDiv1_023946 has 0 hydrogen bond donor(s) and 7 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_023946?
The CAS number of ChemDiv1_023946 is 307545-44-4.
What is the molecular formula of ChemDiv1_023946?
The molecular formula of ChemDiv1_023946 is C17H8N4O3S2.
What is the molecular weight of ChemDiv1_023946?
The molecular weight of ChemDiv1_023946 is 380.00 g/mol.
Where can I buy ChemDiv1_023946?
You can request a quote for ChemDiv1_023946 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023946?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023946 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.