CBKinase1_003247
TL;DR: CBKinase1_003247 (CAS 1212181-82-2) is a chemical compound with molecular formula C20H18BrNO4 and molecular weight 415.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl) 3-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)propanoate
Also Known As: CBKinase1_003247, CBKinase1_015647, 4-bromophenyl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoate, 4-bromophenyl 3-(1,3-dioxo-3,3a,4,4a,5,5a,6,6a-octahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoate, 4-bromophenyl 3-(3,5-dioxo-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-en-4-yl)propanoate
| Molecular Formula | C20H18BrNO4 |
|---|---|
| Molecular Weight | 415.04 g/mol |
| LogP | 2.7977 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.04193 |
| Heavy Atoms | 26 |
| Complexity | 796.7179 |
Chemical Identifiers
| CAS Number | 1212181-82-2 |
|---|---|
| SMILES | C1C2C1C3C=CC2C4C3C(=O)N(C4=O)CCC(=O)OC5=CC=C(C=C5)Br |
Product Overview
CBKinase1_003247 (CAS 1212181-82-2), with molecular formula C20H18BrNO4 and molecular weight 415.04 g/mol. IUPAC: (4-bromophenyl) 3-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)propanoate.
Chemical Property Profile of CBKinase1_003247
Property Insights of CBKinase1_003247
The XLogP value of 2.7977 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_003247. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003247. Following Lipinski's Rule of Five, CBKinase1_003247 has 0 hydrogen bond donor(s) and 4 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_003247?
The CAS number of CBKinase1_003247 is 1212181-82-2.
What is the molecular formula of CBKinase1_003247?
The molecular formula of CBKinase1_003247 is C20H18BrNO4.
What is the molecular weight of CBKinase1_003247?
The molecular weight of CBKinase1_003247 is 415.04 g/mol.
Where can I buy CBKinase1_003247?
You can request a quote for CBKinase1_003247 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003247?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003247 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.