BAS 05968808
TL;DR: BAS 05968808 (CAS 550301-62-7) is a chemical compound with molecular formula C22H20N6O2S and molecular weight 432.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-acetamidophenyl)-2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Also Known As: BAS 05968808, N-(4-acetamidophenyl)-2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide, N-(4-ACETAMIDOPHENYL)-2-{[5-(PROP-2-EN-1-YL)-5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YL]SULFANYL}ACETAMIDE, N-[4-(acetylamino)phenyl]-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
| Molecular Formula | C22H20N6O2S |
|---|---|
| Molecular Weight | 432.14 g/mol |
| LogP | 3.8547 |
| Topological Polar Surface Area | 101.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 432.13684 |
| Heavy Atoms | 31 |
| Complexity | 1282.6488 |
Chemical Identifiers
| CAS Number | 550301-62-7 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C4=CC=CC=C4N3CC=C)N=N2 |
Product Overview
BAS 05968808 (CAS 550301-62-7), with molecular formula C22H20N6O2S and molecular weight 432.14 g/mol. IUPAC: N-(4-acetamidophenyl)-2-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 05968808
Property Insights of BAS 05968808
The XLogP value of 3.8547 indicates that BAS 05968808 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.8 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05968808. Following Lipinski's Rule of Five, BAS 05968808 has 2 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 05968808?
The CAS number of BAS 05968808 is 550301-62-7.
What is the molecular formula of BAS 05968808?
The molecular formula of BAS 05968808 is C22H20N6O2S.
What is the molecular weight of BAS 05968808?
The molecular weight of BAS 05968808 is 432.14 g/mol.
Where can I buy BAS 05968808?
You can request a quote for BAS 05968808 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05968808?
Yes, KEHONG BIO provides custom synthesis services for BAS 05968808 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.