D116-0344
TL;DR: D116-0344 (CAS 891027-94-4) is a chemical compound with molecular formula C21H15F2N5O and molecular weight 391.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-fluorophenyl)-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone
Also Known As: D116-0344, (4-fluorophenyl)-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone, (5-((4-fluorobenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(4-fluorophenyl)methanone, {5-[(4-fluorobenzyl)amino]-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl}(4-fluorophenyl)methanone, 1-(4-FLUOROBENZOYL)-N-[(4-FLUOROPHENYL)METHYL]-3-(PYRIDIN-3-YL)-1H-1,2,4-TRIAZOL-5-AMINE
| Molecular Formula | C21H15F2N5O |
|---|---|
| Molecular Weight | 391.12 g/mol |
| LogP | 3.9189 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.12448 |
| Heavy Atoms | 29 |
| Complexity | 1126.2174 |
Chemical Identifiers
| CAS Number | 891027-94-4 |
|---|---|
| SMILES | C1=CC(=CN=C1)C2=NN(C(=N2)NCC3=CC=C(C=C3)F)C(=O)C4=CC=C(C=C4)F |
Product Overview
D116-0344 (CAS 891027-94-4), with molecular formula C21H15F2N5O and molecular weight 391.12 g/mol. IUPAC: (4-fluorophenyl)-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone.
Chemical Property Profile of D116-0344
Property Insights of D116-0344
The XLogP value of 3.9189 indicates that D116-0344 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for D116-0344. Following Lipinski's Rule of Five, D116-0344 has 1 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 D116-0344?
The CAS number of D116-0344 is 891027-94-4.
What is the molecular formula of D116-0344?
The molecular formula of D116-0344 is C21H15F2N5O.
What is the molecular weight of D116-0344?
The molecular weight of D116-0344 is 391.12 g/mol.
Where can I buy D116-0344?
You can request a quote for D116-0344 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D116-0344?
Yes, KEHONG BIO provides custom synthesis services for D116-0344 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.