RefChem:377789
TL;DR: RefChem:377789 (CAS 113458-70-1) is a chemical compound with molecular formula C14H13N7O3S and molecular weight 359.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-dimethyl-4a-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)-2,4-dihydropyrimido[5,4-e][1,2,4]triazine-3,5,7-trione
Also Known As: Pyrimido(5,4-e)-1,2,4-triazine-3,5,7(6H)-trione, 2,4,4a,8-tetrahydro-4a-(2,3-dihydro-2-thioxo-1H-benzimidazol-5-yl)-6,8-dimethyl-, 3-Hydroxy-6,8-dimethyl-4a-(2-sulfanyl-1H-1,3-benzimidazol-6-yl)-2,8-dihydropyrimido[5,4-e][1,2,4]triazine-5,7(4aH,6H)-dione, 3-Hydroxy-6,8-dimethyl-4a-(2-sulfanyl-1H-benzimidazol-6-yl)-2,8-dihydropyrimido[5,4-e][1,2,4]triazine-5,7(4aH,6H)-dione, 6,8-dimethyl-4a-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)-2,4-dihydropyrimido[5,4-e][1,2,4]triazine-3,5,7-trione, BRN 5649003
| Molecular Formula | C14H13N7O3S |
|---|---|
| Molecular Weight | 359.08 g/mol |
| LogP | 0.57089 |
| Topological Polar Surface Area | 125.69 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 359.08005 |
| Heavy Atoms | 25 |
| Complexity | 1038.4651 |
Chemical Identifiers
| CAS Number | 113458-70-1 |
|---|---|
| SMILES | CN1C2=NNC(=O)NC2(C(=O)N(C1=O)C)C3=CC4=C(C=C3)NC(=S)N4 |
Product Overview
RefChem:377789 (CAS 113458-70-1), with molecular formula C14H13N7O3S and molecular weight 359.08 g/mol. IUPAC: 6,8-dimethyl-4a-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)-2,4-dihydropyrimido[5,4-e][1,2,4]triazine-3,5,7-trione.
Chemical Property Profile of RefChem:377789
Property Insights of RefChem:377789
The XLogP value of 0.57089 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:377789. The TPSA of 125.69 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:377789. Following Lipinski's Rule of Five, RefChem:377789 has 4 hydrogen bond donor(s) and 5 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:377789?
The CAS number of RefChem:377789 is 113458-70-1.
What is the molecular formula of RefChem:377789?
The molecular formula of RefChem:377789 is C14H13N7O3S.
What is the molecular weight of RefChem:377789?
The molecular weight of RefChem:377789 is 359.08 g/mol.
Where can I buy RefChem:377789?
You can request a quote for RefChem:377789 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:377789?
Yes, KEHONG BIO provides custom synthesis services for RefChem:377789 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.