D116-0368
TL;DR: D116-0368 (CAS 891028-65-2) is a chemical compound with molecular formula C22H18FN5O2 and molecular weight 403.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-(3-methoxyphenyl)methanone
Also Known As: D116-0368, (5-((4-fluorobenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(3-methoxyphenyl)methanone, [5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-(3-methoxyphenyl)methanone, {5-[(4-fluorobenzyl)amino]-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl}(3-methoxyphenyl)methanone, N-[(4-FLUOROPHENYL)METHYL]-1-(3-METHOXYBENZOYL)-3-(PYRIDIN-3-YL)-1H-1,2,4-TRIAZOL-5-AMINE
| Molecular Formula | C22H18FN5O2 |
|---|---|
| Molecular Weight | 403.14 g/mol |
| LogP | 3.7884 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.14444 |
| Heavy Atoms | 30 |
| Complexity | 1159.8837 |
Chemical Identifiers
| CAS Number | 891028-65-2 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=C(C=C4)F |
Product Overview
D116-0368 (CAS 891028-65-2), with molecular formula C22H18FN5O2 and molecular weight 403.14 g/mol. IUPAC: [5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-(3-methoxyphenyl)methanone.
Chemical Property Profile of D116-0368
Property Insights of D116-0368
The XLogP value of 3.7884 indicates that D116-0368 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.93 Ų falls within the moderate polarity range, balancing permeability and solubility for D116-0368. Following Lipinski's Rule of Five, D116-0368 has 1 hydrogen bond donor(s) and 6 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 D116-0368?
The CAS number of D116-0368 is 891028-65-2.
What is the molecular formula of D116-0368?
The molecular formula of D116-0368 is C22H18FN5O2.
What is the molecular weight of D116-0368?
The molecular weight of D116-0368 is 403.14 g/mol.
Where can I buy D116-0368?
You can request a quote for D116-0368 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D116-0368?
Yes, KEHONG BIO provides custom synthesis services for D116-0368 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.