12T-0229
TL;DR: 12T-0229 (CAS 860786-24-9) is a chemical compound with molecular formula C16H12ClF3N4O2 and molecular weight 384.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-one
Also Known As: 12T-0229, 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-one, 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(3-methoxyphenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(3-methoxyphenyl)-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
| Molecular Formula | C16H12ClF3N4O2 |
|---|---|
| Molecular Weight | 384.06 g/mol |
| LogP | 3.40742 |
| Topological Polar Surface Area | 61.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 384.0601 |
| Heavy Atoms | 26 |
| Complexity | 1027.0648 |
Chemical Identifiers
| CAS Number | 860786-24-9 |
|---|---|
| SMILES | CC1=NN(C(=O)N1C2=CC(=CC=C2)OC)C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
12T-0229 (CAS 860786-24-9), with molecular formula C16H12ClF3N4O2 and molecular weight 384.06 g/mol. IUPAC: 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-one.
Chemical Property Profile of 12T-0229
Property Insights of 12T-0229
The XLogP value of 3.40742 indicates that 12T-0229 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 12T-0229. Following Lipinski's Rule of Five, 12T-0229 has 0 hydrogen bond donor(s) and 4 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 12T-0229?
The CAS number of 12T-0229 is 860786-24-9.
What is the molecular formula of 12T-0229?
The molecular formula of 12T-0229 is C16H12ClF3N4O2.
What is the molecular weight of 12T-0229?
The molecular weight of 12T-0229 is 384.06 g/mol.
Where can I buy 12T-0229?
You can request a quote for 12T-0229 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12T-0229?
Yes, KEHONG BIO provides custom synthesis services for 12T-0229 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.