CBKinase1_003722
TL;DR: CBKinase1_003722 (CAS 403844-87-1) is a chemical compound with molecular formula C17H19N3O3S2 and molecular weight 377.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: CBKinase1_003722, CBKinase1_016122, BAS 06417285, AI-204/31760031, BRD-K65761405-001-01-3
| Molecular Formula | C17H19N3O3S2 |
|---|---|
| Molecular Weight | 377.09 g/mol |
| LogP | 3.3244 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 377.0868 |
| Heavy Atoms | 25 |
| Complexity | 761.9986 |
Chemical Identifiers
| CAS Number | 403844-87-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC=CC=N3 |
Product Overview
CBKinase1_003722 (CAS 403844-87-1), with molecular formula C17H19N3O3S2 and molecular weight 377.09 g/mol. IUPAC: ethyl 2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_003722
Property Insights of CBKinase1_003722
The XLogP value of 3.3244 indicates that CBKinase1_003722 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_003722. Following Lipinski's Rule of Five, CBKinase1_003722 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_003722?
The CAS number of CBKinase1_003722 is 403844-87-1.
What is the molecular formula of CBKinase1_003722?
The molecular formula of CBKinase1_003722 is C17H19N3O3S2.
What is the molecular weight of CBKinase1_003722?
The molecular weight of CBKinase1_003722 is 377.09 g/mol.
Where can I buy CBKinase1_003722?
You can request a quote for CBKinase1_003722 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003722?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003722 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.