CBKinase1_001539
TL;DR: CBKinase1_001539 (CAS 370855-13-3) is a chemical compound with molecular formula C25H25N3O2S and molecular weight 431.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-4-(furan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
Also Known As: CBKinase1_001539, CBKinase1_013939, AE-848/15116487, 2-[[3-cyano-4-(furan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide, 2-{[3-cyano-4-(2-furyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-N-mesitylacetamide
| Molecular Formula | C25H25N3O2S |
|---|---|
| Molecular Weight | 431.17 g/mol |
| LogP | 5.74814 |
| Topological Polar Surface Area | 78.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.16675 |
| Heavy Atoms | 31 |
| Complexity | 1153.4583 |
Chemical Identifiers
| CAS Number | 370855-13-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC3=C(CCCC3)C(=C2C#N)C4=CC=CO4)C |
Product Overview
CBKinase1_001539 (CAS 370855-13-3), with molecular formula C25H25N3O2S and molecular weight 431.17 g/mol. IUPAC: 2-[[3-cyano-4-(furan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide.
Chemical Property Profile of CBKinase1_001539
Property Insights of CBKinase1_001539
The XLogP value of 5.74814 indicates that CBKinase1_001539 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.92 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_001539. Following Lipinski's Rule of Five, CBKinase1_001539 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_001539?
The CAS number of CBKinase1_001539 is 370855-13-3.
What is the molecular formula of CBKinase1_001539?
The molecular formula of CBKinase1_001539 is C25H25N3O2S.
What is the molecular weight of CBKinase1_001539?
The molecular weight of CBKinase1_001539 is 431.17 g/mol.
Where can I buy CBKinase1_001539?
You can request a quote for CBKinase1_001539 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_001539?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_001539 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.