CTK0J8291
TL;DR: CTK0J8291 (CAS 52148-89-7) is a chemical compound with molecular formula C12H12O4 and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3-methoxy-3-oxoprop-1-enyl)benzoate
Also Known As: Methyl (E)-4-(3-methoxy-3-oxoprop-1-en-1-yl)benzoate, Methyl 4-(3-methoxy-3-oxoprop-1-en-1-yl)benzoate, Methyl 4-(3-methoxy-3-oxoprop-1-enyl)benzoate, (E)-methyl 4-(3-methoxy-3-oxoprop-1-enyl)benzoate, Methyl4-(3-methoxy-3-oxoprop-1-en-1-yl)benzoate
| Molecular Formula | C12H12O4 |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 220.07356 |
| Heavy Atoms | 16 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 52148-89-7 |
|---|---|
| SMILES | COC(=O)C=CC1=CC=C(C=C1)C(=O)OC |
| InChIKey | OHHRWWCYKPUJOW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CTK0J8291 (CAS 52148-89-7), with molecular formula C12H12O4 and molecular weight 220.07 g/mol. IUPAC: methyl 4-(3-methoxy-3-oxoprop-1-enyl)benzoate.
Chemical Property Profile of CTK0J8291
Property Insights of CTK0J8291
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK0J8291. With a topological polar surface area (TPSA) of 52.6 Ų, CTK0J8291 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CTK0J8291 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 CTK0J8291?
The CAS number of CTK0J8291 is 52148-89-7.
What is the molecular formula of CTK0J8291?
The molecular formula of CTK0J8291 is C12H12O4.
What is the molecular weight of CTK0J8291?
The molecular weight of CTK0J8291 is 220.07 g/mol.
Where can I buy CTK0J8291?
You can request a quote for CTK0J8291 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK0J8291?
Yes, KEHONG BIO provides custom synthesis services for CTK0J8291 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.