12T-0337
TL;DR: 12T-0337 (CAS 860784-92-5) is a chemical compound with molecular formula C22H18N4O4 and molecular weight 402.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-[(4-nitrophenyl)methyl]-4-(4-phenoxyphenyl)-1,2,4-triazol-3-one
Also Known As: 12T-0337, 5-methyl-2-(4-nitrobenzyl)-4-(4-phenoxyphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one, 5-methyl-2-[(4-nitrophenyl)methyl]-4-(4-phenoxyphenyl)-1,2,4-triazol-3-one, 3-methyl-1-[(4-nitrophenyl)methyl]-4-(4-phenoxyphenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
| Molecular Formula | C22H18N4O4 |
|---|---|
| Molecular Weight | 402.13 g/mol |
| LogP | 4.09122 |
| Topological Polar Surface Area | 92.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.1328 |
| Heavy Atoms | 30 |
| Complexity | 1227.1301 |
Chemical Identifiers
| CAS Number | 860784-92-5 |
|---|---|
| SMILES | CC1=NN(C(=O)N1C2=CC=C(C=C2)OC3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
12T-0337 (CAS 860784-92-5), with molecular formula C22H18N4O4 and molecular weight 402.13 g/mol. IUPAC: 5-methyl-2-[(4-nitrophenyl)methyl]-4-(4-phenoxyphenyl)-1,2,4-triazol-3-one.
Chemical Property Profile of 12T-0337
Property Insights of 12T-0337
The XLogP value of 4.09122 indicates that 12T-0337 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 12T-0337. Following Lipinski's Rule of Five, 12T-0337 has 0 hydrogen bond donor(s) and 5 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-0337?
The CAS number of 12T-0337 is 860784-92-5.
What is the molecular formula of 12T-0337?
The molecular formula of 12T-0337 is C22H18N4O4.
What is the molecular weight of 12T-0337?
The molecular weight of 12T-0337 is 402.13 g/mol.
Where can I buy 12T-0337?
You can request a quote for 12T-0337 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12T-0337?
Yes, KEHONG BIO provides custom synthesis services for 12T-0337 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.