CBKinase1_000975
TL;DR: CBKinase1_000975 (CAS 352554-80-4) is a chemical compound with molecular formula C18H19N3O3S2 and molecular weight 389.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: CBKinase1_000975, CBKinase1_013375, AH-262/37093016, BRD-K53329137-001-01-8, ethyl 2-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C18H19N3O3S2 |
|---|---|
| Molecular Weight | 389.09 g/mol |
| LogP | 4.14874 |
| Topological Polar Surface Area | 84.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.0868 |
| Heavy Atoms | 26 |
| Complexity | 928.90125 |
Chemical Identifiers
| CAS Number | 352554-80-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NC3=CC=CC=C3N2 |
Product Overview
CBKinase1_000975 (CAS 352554-80-4), with molecular formula C18H19N3O3S2 and molecular weight 389.09 g/mol. IUPAC: ethyl 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_000975
Property Insights of CBKinase1_000975
The XLogP value of 4.14874 indicates that CBKinase1_000975 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.08 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_000975. Following Lipinski's Rule of Five, CBKinase1_000975 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 CBKinase1_000975?
The CAS number of CBKinase1_000975 is 352554-80-4.
What is the molecular formula of CBKinase1_000975?
The molecular formula of CBKinase1_000975 is C18H19N3O3S2.
What is the molecular weight of CBKinase1_000975?
The molecular weight of CBKinase1_000975 is 389.09 g/mol.
Where can I buy CBKinase1_000975?
You can request a quote for CBKinase1_000975 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_000975?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_000975 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.