BAS 05968942
TL;DR: BAS 05968942 (CAS 476482-79-8) is a chemical compound with molecular formula C21H25N7O2S and molecular weight 439.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione
Also Known As: BAS 05968942, UPCMLD0ENAT5833014:001, 7-(2-((1H-benzo[d]imidazol-2-yl)thio)ethyl)-3-methyl-8-(4-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione, AB00674016-01, AB00674016-02
| Molecular Formula | C21H25N7O2S |
|---|---|
| Molecular Weight | 439.18 g/mol |
| LogP | 2.3282 |
| Topological Polar Surface Area | 104.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.17905 |
| Heavy Atoms | 31 |
| Complexity | 1324.8146 |
Chemical Identifiers
| CAS Number | 476482-79-8 |
|---|---|
| SMILES | CC1CCN(CC1)C2=NC3=C(N2CCSC4=NC5=CC=CC=C5N4)C(=O)NC(=O)N3C |
Product Overview
BAS 05968942 (CAS 476482-79-8), with molecular formula C21H25N7O2S and molecular weight 439.18 g/mol. IUPAC: 7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione.
Chemical Property Profile of BAS 05968942
Property Insights of BAS 05968942
The XLogP value of 2.3282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05968942. The TPSA of 104.6 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05968942. Following Lipinski's Rule of Five, BAS 05968942 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 05968942?
The CAS number of BAS 05968942 is 476482-79-8.
What is the molecular formula of BAS 05968942?
The molecular formula of BAS 05968942 is C21H25N7O2S.
What is the molecular weight of BAS 05968942?
The molecular weight of BAS 05968942 is 439.18 g/mol.
Where can I buy BAS 05968942?
You can request a quote for BAS 05968942 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05968942?
Yes, KEHONG BIO provides custom synthesis services for BAS 05968942 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.