CBKinase1_005392
TL;DR: CBKinase1_005392 (CAS 1005069-10-2) is a chemical compound with molecular formula C22H22N2O5 and molecular weight 394.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)acetyl]amino]benzoate
Also Known As: CBKinase1_005392, CBKinase1_017792, BRD-A00510106-001-01-6, ethyl 4-{[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetyl]amino}benzoate, ethyl 4-(2-(1,3-dioxo-3,3a,4,4a,5,5a,6,6a-octahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetamido)benzoate
| Molecular Formula | C22H22N2O5 |
|---|---|
| Molecular Weight | 394.15 g/mol |
| LogP | 1.8549 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.15286 |
| Heavy Atoms | 29 |
| Complexity | 901.02594 |
Chemical Identifiers
| CAS Number | 1005069-10-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3C4C=CC(C3C2=O)C5C4C5 |
Product Overview
CBKinase1_005392 (CAS 1005069-10-2), with molecular formula C22H22N2O5 and molecular weight 394.15 g/mol. IUPAC: ethyl 4-[[2-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)acetyl]amino]benzoate.
Chemical Property Profile of CBKinase1_005392
Property Insights of CBKinase1_005392
The XLogP value of 1.8549 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_005392. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005392. Following Lipinski's Rule of Five, CBKinase1_005392 has 1 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_005392?
The CAS number of CBKinase1_005392 is 1005069-10-2.
What is the molecular formula of CBKinase1_005392?
The molecular formula of CBKinase1_005392 is C22H22N2O5.
What is the molecular weight of CBKinase1_005392?
The molecular weight of CBKinase1_005392 is 394.15 g/mol.
Where can I buy CBKinase1_005392?
You can request a quote for CBKinase1_005392 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005392?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005392 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.