CBKinase1_010138
TL;DR: CBKinase1_010138 (CAS 704875-05-8) is a chemical compound with molecular formula C16H15FN8O2S and molecular weight 402.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(2H-tetrazol-5-ylmethylsulfanyl)purine-2,6-dione
Also Known As: CBKinase1_010138, CBKinase1_022538, BRD-K48356674-001-01-8, A3693/0156713, 7-[(2-Fluorophenyl)methyl]-3,7-dihydro-1,3-dimethyl-8-[(2H-tetrazol-5-ylmethyl)thio]-1H-purine-2,6-dione
| Molecular Formula | C16H15FN8O2S |
|---|---|
| Molecular Weight | 402.10 g/mol |
| LogP | 0.4265 |
| Topological Polar Surface Area | 116.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.10226 |
| Heavy Atoms | 28 |
| Complexity | 1274.5195 |
Chemical Identifiers
| CAS Number | 704875-05-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=NNN=N3)CC4=CC=CC=C4F |
Product Overview
CBKinase1_010138 (CAS 704875-05-8), with molecular formula C16H15FN8O2S and molecular weight 402.10 g/mol. IUPAC: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(2H-tetrazol-5-ylmethylsulfanyl)purine-2,6-dione.
Chemical Property Profile of CBKinase1_010138
Property Insights of CBKinase1_010138
The XLogP value of 0.4265 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_010138. The TPSA of 116.28 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_010138. Following Lipinski's Rule of Five, CBKinase1_010138 has 1 hydrogen bond donor(s) and 7 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 CBKinase1_010138?
The CAS number of CBKinase1_010138 is 704875-05-8.
What is the molecular formula of CBKinase1_010138?
The molecular formula of CBKinase1_010138 is C16H15FN8O2S.
What is the molecular weight of CBKinase1_010138?
The molecular weight of CBKinase1_010138 is 402.10 g/mol.
Where can I buy CBKinase1_010138?
You can request a quote for CBKinase1_010138 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_010138?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_010138 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.