RefChem:545005
TL;DR: RefChem:545005 (CAS 476482-53-8) is a chemical compound with molecular formula C20H23N7O2S and molecular weight 425.16 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-piperidin-1-ylpurine-2,6-dione
Also Known As: BAS 05968928, UPCMLD0ENAT5836654:001, 7-(2-((1H-benzo[d]imidazol-2-yl)thio)ethyl)-3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione, AB00674011-01, F1342-0078
| Molecular Formula | C20H23N7O2S |
|---|---|
| Molecular Weight | 425.16 g/mol |
| LogP | 2.0822 |
| Topological Polar Surface Area | 104.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.1634 |
| Heavy Atoms | 30 |
| Complexity | 1293.6688 |
Chemical Identifiers
| CAS Number | 476482-53-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CCSC4=NC5=CC=CC=C5N4 |
Product Overview
RefChem:545005 (CAS 476482-53-8), with molecular formula C20H23N7O2S and molecular weight 425.16 g/mol. IUPAC: 7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-8-piperidin-1-ylpurine-2,6-dione.
Chemical Property Profile of RefChem:545005
Property Insights of RefChem:545005
The XLogP value of 2.0822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:545005. The TPSA of 104.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:545005. Following Lipinski's Rule of Five, RefChem:545005 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 RefChem:545005?
The CAS number of RefChem:545005 is 476482-53-8.
What is the molecular formula of RefChem:545005?
The molecular formula of RefChem:545005 is C20H23N7O2S.
What is the molecular weight of RefChem:545005?
The molecular weight of RefChem:545005 is 425.16 g/mol.
Where can I buy RefChem:545005?
You can request a quote for RefChem:545005 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:545005?
Yes, KEHONG BIO provides custom synthesis services for RefChem:545005 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.