3,4-甲氧基肉桂酸
TL;DR: 3,4-甲氧基肉桂酸 (CAS 2316-26-9) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-甲氧基肉桂酸
3-(3,4-dimethoxyphenyl)prop-2-enoic acid
Also Known As: 3,4-DIMETHOXYCINNAMIC ACID, Methylferulic acid, Caffeic acid dimethyl ether, o-Methylferulic acid, 3-(3,4-dimethoxyphenyl)acrylic acid
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 2316-26-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=CC(=O)O)OC |
| InChIKey | HJBWJAPEBGSQPR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-甲氧基肉桂酸 (CAS 2316-26-9), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: 3-(3,4-dimethoxyphenyl)prop-2-enoic acid.
Chemical Property Profile of 3,4-甲氧基肉桂酸
Property Insights of 3,4-甲氧基肉桂酸
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-甲氧基肉桂酸. With a topological polar surface area (TPSA) of 55.8 Ų, 3,4-甲氧基肉桂酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-甲氧基肉桂酸 has 1 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 3,4-甲氧基肉桂酸?
The CAS number of 3,4-甲氧基肉桂酸 is 2316-26-9.
What is the molecular formula of 3,4-甲氧基肉桂酸?
The molecular formula of 3,4-甲氧基肉桂酸 is C11H12O4.
What is the molecular weight of 3,4-甲氧基肉桂酸?
The molecular weight of 3,4-甲氧基肉桂酸 is 208.07 g/mol.
Where can I buy 3,4-甲氧基肉桂酸?
You can request a quote for 3,4-甲氧基肉桂酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-甲氧基肉桂酸?
Yes, KEHONG BIO provides custom synthesis services for 3,4-甲氧基肉桂酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.