ChemDiv2_004525
TL;DR: ChemDiv2_004525 (CAS 522652-29-5) is a chemical compound with molecular formula C18H17N9S and molecular weight 391.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-(4-methylphenyl)-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
Also Known As: ChemDiv2_004525, IDI1_003240, N-(4-methylphenyl)-6-{[(1-phenyl-1H-tetrazol-5-yl)thio]methyl}-1,3,5-triazine-2,4-diamine, 2-N-(4-methylphenyl)-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine, 6-(((1-phenyl-1H-tetrazol-5-yl)thio)methyl)-N2-(p-tolyl)-1,3,5-triazine-2,4-diamine
| Molecular Formula | C18H17N9S |
|---|---|
| Molecular Weight | 391.13 g/mol |
| LogP | 2.77382 |
| Topological Polar Surface Area | 120.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.13275 |
| Heavy Atoms | 28 |
| Complexity | 1064.1287 |
Chemical Identifiers
| CAS Number | 522652-29-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NN=NN3C4=CC=CC=C4 |
Product Overview
ChemDiv2_004525 (CAS 522652-29-5), with molecular formula C18H17N9S and molecular weight 391.13 g/mol. IUPAC: 2-N-(4-methylphenyl)-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of ChemDiv2_004525
Property Insights of ChemDiv2_004525
The XLogP value of 2.77382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_004525. The TPSA of 120.32 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004525. Following Lipinski's Rule of Five, ChemDiv2_004525 has 2 hydrogen bond donor(s) and 9 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_004525?
The CAS number of ChemDiv2_004525 is 522652-29-5.
What is the molecular formula of ChemDiv2_004525?
The molecular formula of ChemDiv2_004525 is C18H17N9S.
What is the molecular weight of ChemDiv2_004525?
The molecular weight of ChemDiv2_004525 is 391.13 g/mol.
Where can I buy ChemDiv2_004525?
You can request a quote for ChemDiv2_004525 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004525?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004525 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.