CBKinase1_005159
TL;DR: CBKinase1_005159 (CAS 1005068-97-2) is a chemical compound with molecular formula C21H21N3O6 and molecular weight 411.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-N-(2-methoxy-4-nitrophenyl)propanamide
Also Known As: CBKinase1_005159, CBKinase1_017559, BRD-A32486341-001-01-6, 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)-N-(2-methoxy-4-nitrophenyl)propanamide, 3-(1,3-dioxo-3,3a,4,4a,5,5a,6,6a-octahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)-N-(2-methoxy-4-nitrophenyl)propanamide
| Molecular Formula | C21H21N3O6 |
|---|---|
| Molecular Weight | 411.14 g/mol |
| LogP | 1.9851 |
| Topological Polar Surface Area | 118.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.14304 |
| Heavy Atoms | 30 |
| Complexity | 968.4559 |
Chemical Identifiers
| CAS Number | 1005068-97-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCN2C(=O)C3C4C=CC(C3C2=O)C5C4C5 |
Product Overview
CBKinase1_005159 (CAS 1005068-97-2), with molecular formula C21H21N3O6 and molecular weight 411.14 g/mol. IUPAC: 3-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)-N-(2-methoxy-4-nitrophenyl)propanamide.
Chemical Property Profile of CBKinase1_005159
Property Insights of CBKinase1_005159
The XLogP value of 1.9851 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_005159. The TPSA of 118.85 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005159. Following Lipinski's Rule of Five, CBKinase1_005159 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_005159?
The CAS number of CBKinase1_005159 is 1005068-97-2.
What is the molecular formula of CBKinase1_005159?
The molecular formula of CBKinase1_005159 is C21H21N3O6.
What is the molecular weight of CBKinase1_005159?
The molecular weight of CBKinase1_005159 is 411.14 g/mol.
Where can I buy CBKinase1_005159?
You can request a quote for CBKinase1_005159 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005159?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005159 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.