CBKinase1_008576
TL;DR: CBKinase1_008576 (CAS 665000-20-4) is a chemical compound with molecular formula C21H21N3O3S and molecular weight 395.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: CBKinase1_008576, CBKinase1_020976, AM-807/41931542, methyl 2-[[2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetyl]amino]benzoate, BRD-K54308657-001-01-1
| Molecular Formula | C21H21N3O3S |
|---|---|
| Molecular Weight | 395.13 g/mol |
| LogP | 3.73958 |
| Topological Polar Surface Area | 92.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.13037 |
| Heavy Atoms | 28 |
| Complexity | 936.97845 |
Chemical Identifiers
| CAS Number | 665000-20-4 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CSC2=C(C=C3CCCCCC3=N2)C#N |
Product Overview
CBKinase1_008576 (CAS 665000-20-4), with molecular formula C21H21N3O3S and molecular weight 395.13 g/mol. IUPAC: methyl 2-[[2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of CBKinase1_008576
Property Insights of CBKinase1_008576
The XLogP value of 3.73958 indicates that CBKinase1_008576 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.08 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008576. Following Lipinski's Rule of Five, CBKinase1_008576 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_008576?
The CAS number of CBKinase1_008576 is 665000-20-4.
What is the molecular formula of CBKinase1_008576?
The molecular formula of CBKinase1_008576 is C21H21N3O3S.
What is the molecular weight of CBKinase1_008576?
The molecular weight of CBKinase1_008576 is 395.13 g/mol.
Where can I buy CBKinase1_008576?
You can request a quote for CBKinase1_008576 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008576?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008576 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.