CBKinase1_000821
TL;DR: CBKinase1_000821 (CAS 313702-42-0) is a chemical compound with molecular formula C20H17N3O3S and molecular weight 379.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide
Also Known As: CBKinase1_000821, CBKinase1_013221, BAS 01256906, BIM-0005075.P001, AB00096916-01
| Molecular Formula | C20H17N3O3S |
|---|---|
| Molecular Weight | 379.10 g/mol |
| LogP | 3.12338 |
| Topological Polar Surface Area | 90.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.09906 |
| Heavy Atoms | 27 |
| Complexity | 967.3862 |
Chemical Identifiers
| CAS Number | 313702-42-0 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O)C#N |
Product Overview
CBKinase1_000821 (CAS 313702-42-0), with molecular formula C20H17N3O3S and molecular weight 379.10 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide.
Chemical Property Profile of CBKinase1_000821
Property Insights of CBKinase1_000821
The XLogP value of 3.12338 indicates that CBKinase1_000821 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.27 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_000821. Following Lipinski's Rule of Five, CBKinase1_000821 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_000821?
The CAS number of CBKinase1_000821 is 313702-42-0.
What is the molecular formula of CBKinase1_000821?
The molecular formula of CBKinase1_000821 is C20H17N3O3S.
What is the molecular weight of CBKinase1_000821?
The molecular weight of CBKinase1_000821 is 379.10 g/mol.
Where can I buy CBKinase1_000821?
You can request a quote for CBKinase1_000821 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_000821?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_000821 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.