ChemDiv1_027854
TL;DR: ChemDiv1_027854 (CAS 69783-25-1) is a chemical compound with molecular formula C18H19N5OS and molecular weight 353.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dimethyl-4a,7a-diphenyl-3-sulfanylidene-2,4-dihydro-1H-imidazo[4,5-e][1,2,4]triazin-6-one
Also Known As: ChemDiv1_027854, J3.594.306D, 5,7-dimethyl-4a,7a-diphenyl-3-thioxooctahydro-6H-imidazo[4,5-e][1,2,4]triazin-6-one, A2232/0093946, 3-Thioxo-4a,7a-diphenyl-5,7-dimethyloctahydro-1H-imidazo[4,5-e][1,2,4]triazine-6-one
| Molecular Formula | C18H19N5OS |
|---|---|
| Molecular Weight | 353.13 g/mol |
| LogP | 1.6719 |
| Topological Polar Surface Area | 59.64 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 353.13104 |
| Heavy Atoms | 25 |
| Complexity | 829.87476 |
Chemical Identifiers
| CAS Number | 69783-25-1 |
|---|---|
| SMILES | CN1C(=O)N(C2(C1(NC(=S)NN2)C3=CC=CC=C3)C4=CC=CC=C4)C |
Product Overview
ChemDiv1_027854 (CAS 69783-25-1), with molecular formula C18H19N5OS and molecular weight 353.13 g/mol. IUPAC: 5,7-dimethyl-4a,7a-diphenyl-3-sulfanylidene-2,4-dihydro-1H-imidazo[4,5-e][1,2,4]triazin-6-one.
Chemical Property Profile of ChemDiv1_027854
Property Insights of ChemDiv1_027854
The XLogP value of 1.6719 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_027854. With a topological polar surface area (TPSA) of 59.64 Ų, ChemDiv1_027854 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_027854 has 3 hydrogen bond donor(s) and 3 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_027854?
The CAS number of ChemDiv1_027854 is 69783-25-1.
What is the molecular formula of ChemDiv1_027854?
The molecular formula of ChemDiv1_027854 is C18H19N5OS.
What is the molecular weight of ChemDiv1_027854?
The molecular weight of ChemDiv1_027854 is 353.13 g/mol.
Where can I buy ChemDiv1_027854?
You can request a quote for ChemDiv1_027854 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_027854?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_027854 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.