12T-0807
TL;DR: 12T-0807 (CAS 860784-99-2) is a chemical compound with molecular formula C17H16FN3O2 and molecular weight 313.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-one
Also Known As: 12T-0807, 4-(4-fluorophenyl)-2-(4-methoxybenzyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one, 4-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-one, 4-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
| Molecular Formula | C17H16FN3O2 |
|---|---|
| Molecular Weight | 313.12 g/mol |
| LogP | 2.53842 |
| Topological Polar Surface Area | 49.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.12265 |
| Heavy Atoms | 23 |
| Complexity | 864.3493 |
Chemical Identifiers
| CAS Number | 860784-99-2 |
|---|---|
| SMILES | CC1=NN(C(=O)N1C2=CC=C(C=C2)F)CC3=CC=C(C=C3)OC |
Product Overview
12T-0807 (CAS 860784-99-2), with molecular formula C17H16FN3O2 and molecular weight 313.12 g/mol. IUPAC: 4-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-one.
Chemical Property Profile of 12T-0807
Property Insights of 12T-0807
The XLogP value of 2.53842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12T-0807. With a topological polar surface area (TPSA) of 49.05 Ų, 12T-0807 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12T-0807 has 0 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 12T-0807?
The CAS number of 12T-0807 is 860784-99-2.
What is the molecular formula of 12T-0807?
The molecular formula of 12T-0807 is C17H16FN3O2.
What is the molecular weight of 12T-0807?
The molecular weight of 12T-0807 is 313.12 g/mol.
Where can I buy 12T-0807?
You can request a quote for 12T-0807 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12T-0807?
Yes, KEHONG BIO provides custom synthesis services for 12T-0807 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.