BAS 03819045
TL;DR: BAS 03819045 (CAS 433261-68-8) is a chemical compound with molecular formula C21H20N6OS and molecular weight 404.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one
Also Known As: BAS 03819045, 3-[3-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one, 3-[3-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]propyl]-1H-benzimidazol-2-one, 1-{3-[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one, 1-[3-(5-ethyl-1,2,4-triazino[5,6-b]indol-3-ylthio)propyl]-3-hydrobenzimidazol- 2-one
| Molecular Formula | C21H20N6OS |
|---|---|
| Molecular Weight | 404.14 g/mol |
| LogP | 3.8248 |
| Topological Polar Surface Area | 81.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.14194 |
| Heavy Atoms | 29 |
| Complexity | 1382.7534 |
Chemical Identifiers
| CAS Number | 433261-68-8 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCCCN4C5=CC=CC=C5NC4=O |
Product Overview
BAS 03819045 (CAS 433261-68-8), with molecular formula C21H20N6OS and molecular weight 404.14 g/mol. IUPAC: 3-[3-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one.
Chemical Property Profile of BAS 03819045
Property Insights of BAS 03819045
The XLogP value of 3.8248 indicates that BAS 03819045 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.39 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03819045. Following Lipinski's Rule of Five, BAS 03819045 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 03819045?
The CAS number of BAS 03819045 is 433261-68-8.
What is the molecular formula of BAS 03819045?
The molecular formula of BAS 03819045 is C21H20N6OS.
What is the molecular weight of BAS 03819045?
The molecular weight of BAS 03819045 is 404.14 g/mol.
Where can I buy BAS 03819045?
You can request a quote for BAS 03819045 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03819045?
Yes, KEHONG BIO provides custom synthesis services for BAS 03819045 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.