CBKinase1_008378
TL;DR: CBKinase1_008378 (CAS 444161-07-3) is a chemical compound with molecular formula C21H23N3O3S and molecular weight 397.15 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-(3,4-dimethoxyphenyl)acetamide
Also Known As: CBKinase1_008378, CBKinase1_020778, 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide, BAS 06900628, AM-807/14147524
| Molecular Formula | C21H23N3O3S |
|---|---|
| Molecular Weight | 397.15 g/mol |
| LogP | 3.97018 |
| Topological Polar Surface Area | 84.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.14603 |
| Heavy Atoms | 28 |
| Complexity | 908.4993 |
Chemical Identifiers
| CAS Number | 444161-07-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)NC(=O)CSC2=C(C=C3CCCCCC3=N2)C#N)OC |
Product Overview
CBKinase1_008378 (CAS 444161-07-3), with molecular formula C21H23N3O3S and molecular weight 397.15 g/mol. IUPAC: 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide.
Chemical Property Profile of CBKinase1_008378
Property Insights of CBKinase1_008378
The XLogP value of 3.97018 indicates that CBKinase1_008378 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.24 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008378. Following Lipinski's Rule of Five, CBKinase1_008378 has 1 hydrogen bond donor(s) and 6 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_008378?
The CAS number of CBKinase1_008378 is 444161-07-3.
What is the molecular formula of CBKinase1_008378?
The molecular formula of CBKinase1_008378 is C21H23N3O3S.
What is the molecular weight of CBKinase1_008378?
The molecular weight of CBKinase1_008378 is 397.15 g/mol.
Where can I buy CBKinase1_008378?
You can request a quote for CBKinase1_008378 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008378?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008378 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.