ChemDiv2_004650
TL;DR: ChemDiv2_004650 (CAS 670240-49-0) is a chemical compound with molecular formula C18H16N8OS and molecular weight 392.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-(4-methylphenyl)-6-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
Also Known As: ChemDiv2_004650, IDI1_003365, BAS 07100081, N-(4-methylphenyl)-6-({[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]thio}methyl)-1,3,5-triazine-2,4-diamine, (4Z)-4-[(4-methylphenyl)imino]-6-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-4,5-dihydro-1,3,5-triazin-2-amine
| Molecular Formula | C18H16N8OS |
|---|---|
| Molecular Weight | 392.12 g/mol |
| LogP | 3.24312 |
| Topological Polar Surface Area | 128.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.1168 |
| Heavy Atoms | 28 |
| Complexity | 1068.658 |
Chemical Identifiers
| CAS Number | 670240-49-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NN=C(O3)C4=CC=NC=C4 |
Product Overview
ChemDiv2_004650 (CAS 670240-49-0), with molecular formula C18H16N8OS and molecular weight 392.12 g/mol. IUPAC: 2-N-(4-methylphenyl)-6-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of ChemDiv2_004650
Property Insights of ChemDiv2_004650
The XLogP value of 3.24312 indicates that ChemDiv2_004650 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.53 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004650. Following Lipinski's Rule of Five, ChemDiv2_004650 has 2 hydrogen bond donor(s) and 10 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 ChemDiv2_004650?
The CAS number of ChemDiv2_004650 is 670240-49-0.
What is the molecular formula of ChemDiv2_004650?
The molecular formula of ChemDiv2_004650 is C18H16N8OS.
What is the molecular weight of ChemDiv2_004650?
The molecular weight of ChemDiv2_004650 is 392.12 g/mol.
Where can I buy ChemDiv2_004650?
You can request a quote for ChemDiv2_004650 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004650?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004650 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.