6-(3,4-Dimethoxyphenyl)-4-oxohex-5-enoic acid
TL;DR: 6-(3,4-Dimethoxyphenyl)-4-oxohex-5-enoic acid (CAS 65840-41-7) is a chemical compound with molecular formula C14H16O5 and molecular weight 264.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3,4-dimethoxyphenyl)-4-oxohex-5-enoic acid
Also Known As: NCIOpen2_004187, 6-(3,4-dimethoxyphenyl)-4-oxohex-5-enoic acid
| Molecular Formula | C14H16O5 |
|---|---|
| Molecular Weight | 264.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 264.09976 |
| Heavy Atoms | 19 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 65840-41-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=CC(=O)CCC(=O)O)OC |
| InChIKey | LWVLDMUWGLSASG-UHFFFAOYSA-N |
Product Overview
6-(3,4-Dimethoxyphenyl)-4-oxohex-5-enoic acid (CAS 65840-41-7), with molecular formula C14H16O5 and molecular weight 264.10 g/mol. IUPAC: 6-(3,4-dimethoxyphenyl)-4-oxohex-5-enoic acid.
Chemical Property Profile of 6-(3,4-Dimethoxyphenyl)-4-oxohex-5-enoic acid
Property Insights of 6-(3,4-Dimethoxyphenyl)-4-oxohex-5-enoic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(3,4-Dimethoxyphenyl)-4-oxohex-5-enoic acid. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(3,4-Dimethoxyphenyl)-4-oxohex-5-enoic acid. Following Lipinski's Rule of Five, 6-(3,4-Dimethoxyphenyl)-4-oxohex-5-enoic acid 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 6-(3,4-Dimethoxyphenyl)-4-oxohex-5-enoic acid?
The CAS number of 6-(3,4-Dimethoxyphenyl)-4-oxohex-5-enoic acid is 65840-41-7.
What is the molecular formula of 6-(3,4-Dimethoxyphenyl)-4-oxohex-5-enoic acid?
The molecular formula of 6-(3,4-Dimethoxyphenyl)-4-oxohex-5-enoic acid is C14H16O5.
What is the molecular weight of 6-(3,4-Dimethoxyphenyl)-4-oxohex-5-enoic acid?
The molecular weight of 6-(3,4-Dimethoxyphenyl)-4-oxohex-5-enoic acid is 264.10 g/mol.
Where can I buy 6-(3,4-Dimethoxyphenyl)-4-oxohex-5-enoic acid?
You can request a quote for 6-(3,4-Dimethoxyphenyl)-4-oxohex-5-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(3,4-Dimethoxyphenyl)-4-oxohex-5-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-(3,4-Dimethoxyphenyl)-4-oxohex-5-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.