CBKinase1_003331
TL;DR: CBKinase1_003331 (CAS 1005151-13-2) is a chemical compound with molecular formula C21H18N2O4 and molecular weight 362.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
quinolin-8-yl 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propanoate
Also Known As: CBKinase1_003331, CBKinase1_015731, BRD-A90793235-001-01-3, quinolin-8-yl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanoate, quinolin-8-yl 3-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)propanoate
| Molecular Formula | C21H18N2O4 |
|---|---|
| Molecular Weight | 362.13 g/mol |
| LogP | 2.3374 |
| Topological Polar Surface Area | 76.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.12665 |
| Heavy Atoms | 27 |
| Complexity | 963.3441 |
Chemical Identifiers
| CAS Number | 1005151-13-2 |
|---|---|
| SMILES | C1C2C=CC1C3C2C(=O)N(C3=O)CCC(=O)OC4=CC=CC5=C4N=CC=C5 |
Product Overview
CBKinase1_003331 (CAS 1005151-13-2), with molecular formula C21H18N2O4 and molecular weight 362.13 g/mol. IUPAC: quinolin-8-yl 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propanoate.
Chemical Property Profile of CBKinase1_003331
Property Insights of CBKinase1_003331
The XLogP value of 2.3374 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_003331. The TPSA of 76.57 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003331. Following Lipinski's Rule of Five, CBKinase1_003331 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_003331?
The CAS number of CBKinase1_003331 is 1005151-13-2.
What is the molecular formula of CBKinase1_003331?
The molecular formula of CBKinase1_003331 is C21H18N2O4.
What is the molecular weight of CBKinase1_003331?
The molecular weight of CBKinase1_003331 is 362.13 g/mol.
Where can I buy CBKinase1_003331?
You can request a quote for CBKinase1_003331 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003331?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003331 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.