CBKinase1_008336
TL;DR: CBKinase1_008336 (CAS 445383-07-3) is a chemical compound with molecular formula C20H18N4O3S2 and molecular weight 426.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-cyano-5-[[2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetyl]amino]-3-methylthiophene-2-carboxylate
Also Known As: CBKinase1_008336, CBKinase1_020736, AM-807/14147274, ethyl 4-cyano-5-[[2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetyl]amino]-3-methylthiophene-2-carboxylate, BRD-K74362207-001-01-9
| Molecular Formula | C20H18N4O3S2 |
|---|---|
| Molecular Weight | 426.08 g/mol |
| LogP | 3.59108 |
| Topological Polar Surface Area | 115.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.08203 |
| Heavy Atoms | 29 |
| Complexity | 1063.1444 |
Chemical Identifiers
| CAS Number | 445383-07-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=C(C=C3CCCC3=N2)C#N)C#N)C |
Product Overview
CBKinase1_008336 (CAS 445383-07-3), with molecular formula C20H18N4O3S2 and molecular weight 426.08 g/mol. IUPAC: ethyl 4-cyano-5-[[2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetyl]amino]-3-methylthiophene-2-carboxylate.
Chemical Property Profile of CBKinase1_008336
Property Insights of CBKinase1_008336
The XLogP value of 3.59108 indicates that CBKinase1_008336 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.87 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008336. Following Lipinski's Rule of Five, CBKinase1_008336 has 1 hydrogen bond donor(s) and 8 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_008336?
The CAS number of CBKinase1_008336 is 445383-07-3.
What is the molecular formula of CBKinase1_008336?
The molecular formula of CBKinase1_008336 is C20H18N4O3S2.
What is the molecular weight of CBKinase1_008336?
The molecular weight of CBKinase1_008336 is 426.08 g/mol.
Where can I buy CBKinase1_008336?
You can request a quote for CBKinase1_008336 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008336?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008336 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.