CBKinase1_008494
TL;DR: CBKinase1_008494 (CAS 445382-40-1) is a chemical compound with molecular formula C19H18FN3OS and molecular weight 355.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
Also Known As: CBKinase1_008494, CBKinase1_020894, 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide, BAS 06900590, AM-807/14146455
| Molecular Formula | C19H18FN3OS |
|---|---|
| Molecular Weight | 355.12 g/mol |
| LogP | 4.09208 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.11545 |
| Heavy Atoms | 25 |
| Complexity | 831.9043 |
Chemical Identifiers
| CAS Number | 445382-40-1 |
|---|---|
| SMILES | C1CCC2=CC(=C(N=C2CC1)SCC(=O)NC3=CC(=CC=C3)F)C#N |
Product Overview
CBKinase1_008494 (CAS 445382-40-1), with molecular formula C19H18FN3OS and molecular weight 355.12 g/mol. IUPAC: 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide.
Chemical Property Profile of CBKinase1_008494
Property Insights of CBKinase1_008494
The XLogP value of 4.09208 indicates that CBKinase1_008494 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.78 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008494. Following Lipinski's Rule of Five, CBKinase1_008494 has 1 hydrogen bond donor(s) and 4 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_008494?
The CAS number of CBKinase1_008494 is 445382-40-1.
What is the molecular formula of CBKinase1_008494?
The molecular formula of CBKinase1_008494 is C19H18FN3OS.
What is the molecular weight of CBKinase1_008494?
The molecular weight of CBKinase1_008494 is 355.12 g/mol.
Where can I buy CBKinase1_008494?
You can request a quote for CBKinase1_008494 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008494?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008494 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.