BAS 10423080
TL;DR: BAS 10423080 (CAS 876714-59-9) is a chemical compound with molecular formula C17H16FN5O and molecular weight 325.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one
Also Known As: BAS 10423080, 1-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one, 1-(5-((4-fluorobenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)propan-1-one, 1-[5-(4-Fluoro-benzylamino)-3-pyridin-3-yl-[1,2,4]triazol-1-yl]-propan-1-one, 1-[5-[(4-fluorobenzyl)amino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]propan-1-one
| Molecular Formula | C17H16FN5O |
|---|---|
| Molecular Weight | 325.13 g/mol |
| LogP | 3.1415 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.13388 |
| Heavy Atoms | 24 |
| Complexity | 829.9471 |
Chemical Identifiers
| CAS Number | 876714-59-9 |
|---|---|
| SMILES | CCC(=O)N1C(=NC(=N1)C2=CN=CC=C2)NCC3=CC=C(C=C3)F |
Product Overview
BAS 10423080 (CAS 876714-59-9), with molecular formula C17H16FN5O and molecular weight 325.13 g/mol. IUPAC: 1-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one.
Chemical Property Profile of BAS 10423080
Property Insights of BAS 10423080
The XLogP value of 3.1415 indicates that BAS 10423080 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 BAS 10423080. Following Lipinski's Rule of Five, BAS 10423080 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 BAS 10423080?
The CAS number of BAS 10423080 is 876714-59-9.
What is the molecular formula of BAS 10423080?
The molecular formula of BAS 10423080 is C17H16FN5O.
What is the molecular weight of BAS 10423080?
The molecular weight of BAS 10423080 is 325.13 g/mol.
Where can I buy BAS 10423080?
You can request a quote for BAS 10423080 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10423080?
Yes, KEHONG BIO provides custom synthesis services for BAS 10423080 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.