BAS 04061449
TL;DR: BAS 04061449 (CAS 440098-04-4) is a chemical compound with molecular formula C17H13ClN4O and molecular weight 324.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone
Also Known As: BAS 04061449, 1-(4-chlorophenyl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone, 1-(4-chlorophenyl)-2-(2-methyl-4H-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone, 1-(4-chlorophenyl)-2-(2-methyl-4H-benzo[4,5]imidazo[1,2-b][1,2,4]triazol-4-yl)ethanone
| Molecular Formula | C17H13ClN4O |
|---|---|
| Molecular Weight | 324.08 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 52.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.0778 |
| Heavy Atoms | 23 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 440098-04-4 |
|---|---|
| SMILES | CC1=NN2C3=CC=CC=C3N(C2=N1)CC(=O)C4=CC=C(C=C4)Cl |
| InChIKey | FKQOOOBDVVJZJP-UHFFFAOYSA-N |
Product Overview
BAS 04061449 (CAS 440098-04-4), with molecular formula C17H13ClN4O and molecular weight 324.08 g/mol. IUPAC: 1-(4-chlorophenyl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)ethanone.
Chemical Property Profile of BAS 04061449
Property Insights of BAS 04061449
The XLogP value of 3.9 indicates that BAS 04061449 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.2 Ų, BAS 04061449 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 04061449 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 BAS 04061449?
The CAS number of BAS 04061449 is 440098-04-4.
What is the molecular formula of BAS 04061449?
The molecular formula of BAS 04061449 is C17H13ClN4O.
What is the molecular weight of BAS 04061449?
The molecular weight of BAS 04061449 is 324.08 g/mol.
Where can I buy BAS 04061449?
You can request a quote for BAS 04061449 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04061449?
Yes, KEHONG BIO provides custom synthesis services for BAS 04061449 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.