RefChem:399172
TL;DR: RefChem:399172 (CAS 606956-69-8) is a chemical compound with molecular formula C14H11N3O2S2 and molecular weight 317.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-6-methyl-2-[(4-methylsulfanylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
Also Known As: 6-Methyl-2-(4-(methylthio)benzylidene)-2H-thiazolo[3,2-b][1,2,4]triazine-3,7-dione, (2Z)-6-methyl-2-[4-(methylsulfanyl)benzylidene]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione, (2Z)-6-methyl-2-[(4-methylsulfanylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione, (2Z)-6-Methyl-2-(4-(methylsulfanyl)benzylidene)-7H-(1,3)thiazolo(3,2-B)(1,2,4)triazine-3,7(2H)-dione, (2Z)-6-METHYL-2-{[4-(METHYLSULFANYL)PHENYL]METHYLIDENE}-2H,3H,7H-[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZINE-3,7-DIONE
| Molecular Formula | C14H11N3O2S2 |
|---|---|
| Molecular Weight | 317.03 g/mol |
| LogP | 1.08922 |
| Topological Polar Surface Area | 64.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.02927 |
| Heavy Atoms | 21 |
| Complexity | 974.35223 |
Chemical Identifiers
| CAS Number | 606956-69-8 |
|---|---|
| SMILES | CC1=NN2C(=O)/C(=C/C3=CC=C(C=C3)SC)/SC2=NC1=O |
Product Overview
RefChem:399172 (CAS 606956-69-8), with molecular formula C14H11N3O2S2 and molecular weight 317.03 g/mol. IUPAC: (2Z)-6-methyl-2-[(4-methylsulfanylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione.
Chemical Property Profile of RefChem:399172
Property Insights of RefChem:399172
The XLogP value of 1.08922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:399172. The TPSA of 64.33 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:399172. Following Lipinski's Rule of Five, RefChem:399172 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 RefChem:399172?
The CAS number of RefChem:399172 is 606956-69-8.
What is the molecular formula of RefChem:399172?
The molecular formula of RefChem:399172 is C14H11N3O2S2.
What is the molecular weight of RefChem:399172?
The molecular weight of RefChem:399172 is 317.03 g/mol.
Where can I buy RefChem:399172?
You can request a quote for RefChem:399172 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:399172?
Yes, KEHONG BIO provides custom synthesis services for RefChem:399172 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.