CBKinase1_001203
TL;DR: CBKinase1_001203 (CAS 296797-85-8) is a chemical compound with molecular formula C19H23N3O3S2 and molecular weight 405.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: CBKinase1_001203, CBKinase1_013603, BAS 00455952, AB00100635-01, BRD-K88373920-001-01-6
| Molecular Formula | C19H23N3O3S2 |
|---|---|
| Molecular Weight | 405.12 g/mol |
| LogP | 3.94124 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.11807 |
| Heavy Atoms | 27 |
| Complexity | 843.87506 |
Chemical Identifiers
| CAS Number | 296797-85-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC(=CC(=N3)C)C |
Product Overview
CBKinase1_001203 (CAS 296797-85-8), with molecular formula C19H23N3O3S2 and molecular weight 405.12 g/mol. IUPAC: ethyl 2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_001203
Property Insights of CBKinase1_001203
The XLogP value of 3.94124 indicates that CBKinase1_001203 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_001203. Following Lipinski's Rule of Five, CBKinase1_001203 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_001203?
The CAS number of CBKinase1_001203 is 296797-85-8.
What is the molecular formula of CBKinase1_001203?
The molecular formula of CBKinase1_001203 is C19H23N3O3S2.
What is the molecular weight of CBKinase1_001203?
The molecular weight of CBKinase1_001203 is 405.12 g/mol.
Where can I buy CBKinase1_001203?
You can request a quote for CBKinase1_001203 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_001203?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_001203 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.