CBKinase1_002981
TL;DR: CBKinase1_002981 (CAS 1005122-47-3) is a chemical compound with molecular formula C19H19NO5 and molecular weight 341.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl) 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propanoate
Also Known As: CBKinase1_002981, CBKinase1_015381, BRD-A73842987-001-01-9, 4-methoxyphenyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanoate, 4-methoxyphenyl 3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)propanoate
| Molecular Formula | C19H19NO5 |
|---|---|
| Molecular Weight | 341.13 g/mol |
| LogP | 1.7978 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.1263 |
| Heavy Atoms | 25 |
| Complexity | 723.5829 |
Chemical Identifiers
| CAS Number | 1005122-47-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OC(=O)CCN2C(=O)C3C4CC(C3C2=O)C=C4 |
Product Overview
CBKinase1_002981 (CAS 1005122-47-3), with molecular formula C19H19NO5 and molecular weight 341.13 g/mol. IUPAC: (4-methoxyphenyl) 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propanoate.
Chemical Property Profile of CBKinase1_002981
Property Insights of CBKinase1_002981
The XLogP value of 1.7978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_002981. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_002981. Following Lipinski's Rule of Five, CBKinase1_002981 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_002981?
The CAS number of CBKinase1_002981 is 1005122-47-3.
What is the molecular formula of CBKinase1_002981?
The molecular formula of CBKinase1_002981 is C19H19NO5.
What is the molecular weight of CBKinase1_002981?
The molecular weight of CBKinase1_002981 is 341.13 g/mol.
Where can I buy CBKinase1_002981?
You can request a quote for CBKinase1_002981 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002981?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002981 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.