CBKinase1_008001
TL;DR: CBKinase1_008001 (CAS 696623-01-5) is a chemical compound with molecular formula C20H19N3O3S and molecular weight 381.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(1H-benzimidazol-2-yl)ethylsulfanyl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
Also Known As: CBKinase1_008001, CBKinase1_020401, BRD-A51791465-001-01-5, A3571/0151516, 3-[2-(1H-benzimidazol-2-yl)ethylsulfanyl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
| Molecular Formula | C20H19N3O3S |
|---|---|
| Molecular Weight | 381.11 g/mol |
| LogP | 3.1793 |
| Topological Polar Surface Area | 75.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.11472 |
| Heavy Atoms | 27 |
| Complexity | 950.5604 |
Chemical Identifiers
| CAS Number | 696623-01-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)CC(C2=O)SCCC3=NC4=CC=CC=C4N3 |
Product Overview
CBKinase1_008001 (CAS 696623-01-5), with molecular formula C20H19N3O3S and molecular weight 381.11 g/mol. IUPAC: 3-[2-(1H-benzimidazol-2-yl)ethylsulfanyl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione.
Chemical Property Profile of CBKinase1_008001
Property Insights of CBKinase1_008001
The XLogP value of 3.1793 indicates that CBKinase1_008001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.29 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008001. Following Lipinski's Rule of Five, CBKinase1_008001 has 1 hydrogen bond donor(s) and 5 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_008001?
The CAS number of CBKinase1_008001 is 696623-01-5.
What is the molecular formula of CBKinase1_008001?
The molecular formula of CBKinase1_008001 is C20H19N3O3S.
What is the molecular weight of CBKinase1_008001?
The molecular weight of CBKinase1_008001 is 381.11 g/mol.
Where can I buy CBKinase1_008001?
You can request a quote for CBKinase1_008001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008001?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.