CBKinase1_000383
TL;DR: CBKinase1_000383 (CAS 314055-58-8) is a chemical compound with molecular formula C19H18Cl2N2O2S and molecular weight 408.05 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)-4-(2,4-dichlorophenoxy)butanamide
Also Known As: CBKinase1_000383, CBKinase1_012783, BAS 00540878, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2,4-dichlorophenoxy)butanamide, BRD-K73870303-001-01-5
| Molecular Formula | C19H18Cl2N2O2S |
|---|---|
| Molecular Weight | 408.05 g/mol |
| LogP | 5.60308 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.0466 |
| Heavy Atoms | 26 |
| Complexity | 857.9545 |
Chemical Identifiers
| CAS Number | 314055-58-8 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)CCCOC3=C(C=C(C=C3)Cl)Cl)C#N |
Product Overview
CBKinase1_000383 (CAS 314055-58-8), with molecular formula C19H18Cl2N2O2S and molecular weight 408.05 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2,4-dichlorophenoxy)butanamide.
Chemical Property Profile of CBKinase1_000383
Property Insights of CBKinase1_000383
The XLogP value of 5.60308 indicates that CBKinase1_000383 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_000383. Following Lipinski's Rule of Five, CBKinase1_000383 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_000383?
The CAS number of CBKinase1_000383 is 314055-58-8.
What is the molecular formula of CBKinase1_000383?
The molecular formula of CBKinase1_000383 is C19H18Cl2N2O2S.
What is the molecular weight of CBKinase1_000383?
The molecular weight of CBKinase1_000383 is 408.05 g/mol.
Where can I buy CBKinase1_000383?
You can request a quote for CBKinase1_000383 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_000383?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_000383 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.