CBKinase1_007942
TL;DR: CBKinase1_007942 (CAS 708280-86-8) is a chemical compound with molecular formula C21H19N3O4S and molecular weight 409.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-[2-(1H-benzimidazol-2-yl)ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]benzoate
Also Known As: CBKinase1_007942, CBKinase1_020342, methyl 4-(3-{[2-(1H-benzimidazol-2-yl)ethyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoate, methyl 4-(3-((2-(1H-benzo[d]imidazol-2-yl)ethyl)thio)-2,5-dioxopyrrolidin-1-yl)benzoate, methyl 4-[3-[2-(1H-benzimidazol-2-yl)ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]benzoate
| Molecular Formula | C21H19N3O4S |
|---|---|
| Molecular Weight | 409.11 g/mol |
| LogP | 2.9573 |
| Topological Polar Surface Area | 92.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.10962 |
| Heavy Atoms | 29 |
| Complexity | 1043.9795 |
Chemical Identifiers
| CAS Number | 708280-86-8 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SCCC3=NC4=CC=CC=C4N3 |
Product Overview
CBKinase1_007942 (CAS 708280-86-8), with molecular formula C21H19N3O4S and molecular weight 409.11 g/mol. IUPAC: methyl 4-[3-[2-(1H-benzimidazol-2-yl)ethylsulfanyl]-2,5-dioxopyrrolidin-1-yl]benzoate.
Chemical Property Profile of CBKinase1_007942
Property Insights of CBKinase1_007942
The XLogP value of 2.9573 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_007942. The TPSA of 92.36 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_007942. Following Lipinski's Rule of Five, CBKinase1_007942 has 1 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 CBKinase1_007942?
The CAS number of CBKinase1_007942 is 708280-86-8.
What is the molecular formula of CBKinase1_007942?
The molecular formula of CBKinase1_007942 is C21H19N3O4S.
What is the molecular weight of CBKinase1_007942?
The molecular weight of CBKinase1_007942 is 409.11 g/mol.
Where can I buy CBKinase1_007942?
You can request a quote for CBKinase1_007942 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007942?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007942 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.