BAS 05968923
TL;DR: BAS 05968923 (CAS 796879-64-6) is a chemical compound with molecular formula C19H21N7O2S and molecular weight 411.15 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-pyrrolidin-1-ylpurine-2,6-dione
Also Known As: BAS 05968923, 7-(2-((1H-benzo[d]imidazol-2-yl)thio)ethyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione, AB00519210-02, AB00519210-04, F1342-0073
| Molecular Formula | C19H21N7O2S |
|---|---|
| Molecular Weight | 411.15 g/mol |
| LogP | 1.6921 |
| Topological Polar Surface Area | 104.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.14774 |
| Heavy Atoms | 29 |
| Complexity | 1276.8271 |
Chemical Identifiers
| CAS Number | 796879-64-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CCSC4=NC5=CC=CC=C5N4 |
Product Overview
BAS 05968923 (CAS 796879-64-6), with molecular formula C19H21N7O2S and molecular weight 411.15 g/mol. IUPAC: 7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione.
Chemical Property Profile of BAS 05968923
Property Insights of BAS 05968923
The XLogP value of 1.6921 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05968923. The TPSA of 104.6 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05968923. Following Lipinski's Rule of Five, BAS 05968923 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 05968923?
The CAS number of BAS 05968923 is 796879-64-6.
What is the molecular formula of BAS 05968923?
The molecular formula of BAS 05968923 is C19H21N7O2S.
What is the molecular weight of BAS 05968923?
The molecular weight of BAS 05968923 is 411.15 g/mol.
Where can I buy BAS 05968923?
You can request a quote for BAS 05968923 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05968923?
Yes, KEHONG BIO provides custom synthesis services for BAS 05968923 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.