3H-326S
TL;DR: 3H-326S (CAS 400080-89-9) is a chemical compound with molecular formula C17H14F2N4O and molecular weight 328.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-difluorophenyl)-5-methyl-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
Also Known As: 3H-326S, N-(2,4-difluorophenyl)-5-methyl-1-(4-methylphenyl)-1H-1,2,4-triazole-3-carboxamide, N-(2,4-difluorophenyl)-5-methyl-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
| Molecular Formula | C17H14F2N4O |
|---|---|
| Molecular Weight | 328.11 g/mol |
| LogP | 3.41464 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.11356 |
| Heavy Atoms | 24 |
| Complexity | 903.45404 |
Chemical Identifiers
| CAS Number | 400080-89-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NC(=N2)C(=O)NC3=C(C=C(C=C3)F)F)C |
Product Overview
3H-326S (CAS 400080-89-9), with molecular formula C17H14F2N4O and molecular weight 328.11 g/mol. IUPAC: N-(2,4-difluorophenyl)-5-methyl-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide.
Chemical Property Profile of 3H-326S
Property Insights of 3H-326S
The XLogP value of 3.41464 indicates that 3H-326S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, 3H-326S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-326S has 1 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 3H-326S?
The CAS number of 3H-326S is 400080-89-9.
What is the molecular formula of 3H-326S?
The molecular formula of 3H-326S is C17H14F2N4O.
What is the molecular weight of 3H-326S?
The molecular weight of 3H-326S is 328.11 g/mol.
Where can I buy 3H-326S?
You can request a quote for 3H-326S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-326S?
Yes, KEHONG BIO provides custom synthesis services for 3H-326S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.