CBKinase1_002188
TL;DR: CBKinase1_002188 (CAS 445289-04-3) is a chemical compound with molecular formula C21H17ClN2O3S and molecular weight 412.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-chlorophenoxy)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide
Also Known As: CBKinase1_002188, CBKinase1_014588, BRD-K72680056-001-01-8, 5-[(2-chlorophenoxy)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide, 5-[(2-chlorophenoxy)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-furamide
| Molecular Formula | C21H17ClN2O3S |
|---|---|
| Molecular Weight | 412.06 g/mol |
| LogP | 5.57628 |
| Topological Polar Surface Area | 75.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.06485 |
| Heavy Atoms | 28 |
| Complexity | 1064.0328 |
Chemical Identifiers
| CAS Number | 445289-04-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(O3)COC4=CC=CC=C4Cl)C#N |
Product Overview
CBKinase1_002188 (CAS 445289-04-3), with molecular formula C21H17ClN2O3S and molecular weight 412.06 g/mol. IUPAC: 5-[(2-chlorophenoxy)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide.
Chemical Property Profile of CBKinase1_002188
Property Insights of CBKinase1_002188
The XLogP value of 5.57628 indicates that CBKinase1_002188 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.26 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_002188. Following Lipinski's Rule of Five, CBKinase1_002188 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_002188?
The CAS number of CBKinase1_002188 is 445289-04-3.
What is the molecular formula of CBKinase1_002188?
The molecular formula of CBKinase1_002188 is C21H17ClN2O3S.
What is the molecular weight of CBKinase1_002188?
The molecular weight of CBKinase1_002188 is 412.06 g/mol.
Where can I buy CBKinase1_002188?
You can request a quote for CBKinase1_002188 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002188?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002188 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.