N-(5-chloro-2-methylphenyl)-3-(1H-1,2,4-triazol-1-yl)propanamide
TL;DR: N-(5-chloro-2-methylphenyl)-3-(1H-1,2,4-triazol-1-yl)propanamide (CAS 898644-22-9) is a chemical compound with molecular formula C12H13ClN4O and molecular weight 264.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2-methylphenyl)-3-(1,2,4-triazol-1-yl)propanamide
Also Known As: N-(5-chloro-2-methylphenyl)-3-(1H-1,2,4-triazol-1-yl)propanamide, VU0606941-1, F3238-0056, AP-124/43383684, N-(5-chloro-2-methylphenyl)-3-(1,2,4-triazol-1-yl)propanamide
| Molecular Formula | C12H13ClN4O |
|---|---|
| Molecular Weight | 264.08 g/mol |
| LogP | 2.26872 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.0778 |
| Heavy Atoms | 18 |
| Complexity | 539.0154 |
Chemical Identifiers
| CAS Number | 898644-22-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)NC(=O)CCN2C=NC=N2 |
Product Overview
N-(5-chloro-2-methylphenyl)-3-(1H-1,2,4-triazol-1-yl)propanamide (CAS 898644-22-9), with molecular formula C12H13ClN4O and molecular weight 264.08 g/mol. IUPAC: N-(5-chloro-2-methylphenyl)-3-(1,2,4-triazol-1-yl)propanamide.
Chemical Property Profile of N-(5-chloro-2-methylphenyl)-3-(1H-1,2,4-triazol-1-yl)propanamide
Property Insights of N-(5-chloro-2-methylphenyl)-3-(1H-1,2,4-triazol-1-yl)propanamide
The XLogP value of 2.26872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-chloro-2-methylphenyl)-3-(1H-1,2,4-triazol-1-yl)propanamide. With a topological polar surface area (TPSA) of 59.81 Ų, N-(5-chloro-2-methylphenyl)-3-(1H-1,2,4-triazol-1-yl)propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(5-chloro-2-methylphenyl)-3-(1H-1,2,4-triazol-1-yl)propanamide 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 N-(5-chloro-2-methylphenyl)-3-(1H-1,2,4-triazol-1-yl)propanamide?
The CAS number of N-(5-chloro-2-methylphenyl)-3-(1H-1,2,4-triazol-1-yl)propanamide is 898644-22-9.
What is the molecular formula of N-(5-chloro-2-methylphenyl)-3-(1H-1,2,4-triazol-1-yl)propanamide?
The molecular formula of N-(5-chloro-2-methylphenyl)-3-(1H-1,2,4-triazol-1-yl)propanamide is C12H13ClN4O.
What is the molecular weight of N-(5-chloro-2-methylphenyl)-3-(1H-1,2,4-triazol-1-yl)propanamide?
The molecular weight of N-(5-chloro-2-methylphenyl)-3-(1H-1,2,4-triazol-1-yl)propanamide is 264.08 g/mol.
Where can I buy N-(5-chloro-2-methylphenyl)-3-(1H-1,2,4-triazol-1-yl)propanamide?
You can request a quote for N-(5-chloro-2-methylphenyl)-3-(1H-1,2,4-triazol-1-yl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-chloro-2-methylphenyl)-3-(1H-1,2,4-triazol-1-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-chloro-2-methylphenyl)-3-(1H-1,2,4-triazol-1-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.