CBKinase1_008456
TL;DR: CBKinase1_008456 (CAS 445384-85-0) is a chemical compound with molecular formula C16H20N2O2S and molecular weight 304.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetate
Also Known As: CBKinase1_008456, CBKinase1_020856, KUC11034N, BAS 06900648, KSC-230-176-1
| Molecular Formula | C16H20N2O2S |
|---|---|
| Molecular Weight | 304.12 g/mol |
| LogP | 3.26588 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.12454 |
| Heavy Atoms | 21 |
| Complexity | 564.1308 |
Chemical Identifiers
| CAS Number | 445384-85-0 |
|---|---|
| SMILES | CC(C)OC(=O)CSC1=C(C=C2CCCCCC2=N1)C#N |
Product Overview
CBKinase1_008456 (CAS 445384-85-0), with molecular formula C16H20N2O2S and molecular weight 304.12 g/mol. IUPAC: propan-2-yl 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetate.
Chemical Property Profile of CBKinase1_008456
Property Insights of CBKinase1_008456
The XLogP value of 3.26588 indicates that CBKinase1_008456 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008456. Following Lipinski's Rule of Five, CBKinase1_008456 has 0 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_008456?
The CAS number of CBKinase1_008456 is 445384-85-0.
What is the molecular formula of CBKinase1_008456?
The molecular formula of CBKinase1_008456 is C16H20N2O2S.
What is the molecular weight of CBKinase1_008456?
The molecular weight of CBKinase1_008456 is 304.12 g/mol.
Where can I buy CBKinase1_008456?
You can request a quote for CBKinase1_008456 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008456?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008456 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.