3H-329S
TL;DR: 3H-329S (CAS 400080-90-2) is a chemical compound with molecular formula C18H15F3N4O and molecular weight 360.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxamide
Also Known As: 3H-329S, 5-methyl-1-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxamide, 5-methyl-1-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxamide
| Molecular Formula | C18H15F3N4O |
|---|---|
| Molecular Weight | 360.12 g/mol |
| LogP | 4.15524 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.11978 |
| Heavy Atoms | 26 |
| Complexity | 945.8152 |
Chemical Identifiers
| CAS Number | 400080-90-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NC(=N2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)C |
Product Overview
3H-329S (CAS 400080-90-2), with molecular formula C18H15F3N4O and molecular weight 360.12 g/mol. IUPAC: 5-methyl-1-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxamide.
Chemical Property Profile of 3H-329S
Property Insights of 3H-329S
The XLogP value of 4.15524 indicates that 3H-329S 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-329S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-329S 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-329S?
The CAS number of 3H-329S is 400080-90-2.
What is the molecular formula of 3H-329S?
The molecular formula of 3H-329S is C18H15F3N4O.
What is the molecular weight of 3H-329S?
The molecular weight of 3H-329S is 360.12 g/mol.
Where can I buy 3H-329S?
You can request a quote for 3H-329S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-329S?
Yes, KEHONG BIO provides custom synthesis services for 3H-329S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.