BAS 10422631
TL;DR: BAS 10422631 (CAS 876713-75-6) is a chemical compound with molecular formula C19H14FN5OS and molecular weight 379.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-fluorophenyl)-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone
Also Known As: BAS 10422631, (4-fluorophenyl)(3-(pyridin-3-yl)-5-((thiophen-2-ylmethyl)amino)-1H-1,2,4-triazol-1-yl)methanone, (4-fluorophenyl)-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone, (4-fluorophenyl){3-(pyridin-3-yl)-5-[(thiophen-2-ylmethyl)amino]-1H-1,2,4-triazol-1-yl}methanone, 1-(4-FLUOROBENZOYL)-3-(PYRIDIN-3-YL)-N-[(THIOPHEN-2-YL)METHYL]-1H-1,2,4-TRIAZOL-5-AMINE
| Molecular Formula | C19H14FN5OS |
|---|---|
| Molecular Weight | 379.09 g/mol |
| LogP | 3.8413 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.0903 |
| Heavy Atoms | 27 |
| Complexity | 1045.6707 |
Chemical Identifiers
| CAS Number | 876713-75-6 |
|---|---|
| SMILES | C1=CC(=CN=C1)C2=NN(C(=N2)NCC3=CC=CS3)C(=O)C4=CC=C(C=C4)F |
Product Overview
BAS 10422631 (CAS 876713-75-6), with molecular formula C19H14FN5OS and molecular weight 379.09 g/mol. IUPAC: (4-fluorophenyl)-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone.
Chemical Property Profile of BAS 10422631
Property Insights of BAS 10422631
The XLogP value of 3.8413 indicates that BAS 10422631 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 10422631. Following Lipinski's Rule of Five, BAS 10422631 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 BAS 10422631?
The CAS number of BAS 10422631 is 876713-75-6.
What is the molecular formula of BAS 10422631?
The molecular formula of BAS 10422631 is C19H14FN5OS.
What is the molecular weight of BAS 10422631?
The molecular weight of BAS 10422631 is 379.09 g/mol.
Where can I buy BAS 10422631?
You can request a quote for BAS 10422631 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10422631?
Yes, KEHONG BIO provides custom synthesis services for BAS 10422631 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.