4-乙酰氧基-3-甲氧基肉桂酸
TL;DR: 4-乙酰氧基-3-甲氧基肉桂酸 (CAS 2596-47-6) is a chemical compound with molecular formula C12H12O5 and molecular weight 236.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-乙酰氧基-3-甲氧基肉桂酸
3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoic acid
Also Known As: Acetylferulic acid, 4-Acetoxy-3-methoxycinnamic acid, O-acetylferulic acid, 4-acetoxy-3-methoxy-cinnamic acid, 4-acetyloxy-3-methoxy-cinnamic acid
| Molecular Formula | C12H12O5 |
|---|---|
| Molecular Weight | 236.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.06847 |
| Heavy Atoms | 17 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 2596-47-6 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)C=CC(=O)O)OC |
| InChIKey | IHKNVZISLLDMOR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-乙酰氧基-3-甲氧基肉桂酸 (CAS 2596-47-6), with molecular formula C12H12O5 and molecular weight 236.07 g/mol. IUPAC: 3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoic acid.
Chemical Property Profile of 4-乙酰氧基-3-甲氧基肉桂酸
Property Insights of 4-乙酰氧基-3-甲氧基肉桂酸
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-乙酰氧基-3-甲氧基肉桂酸. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-乙酰氧基-3-甲氧基肉桂酸. Following Lipinski's Rule of Five, 4-乙酰氧基-3-甲氧基肉桂酸 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 4-乙酰氧基-3-甲氧基肉桂酸?
The CAS number of 4-乙酰氧基-3-甲氧基肉桂酸 is 2596-47-6.
What is the molecular formula of 4-乙酰氧基-3-甲氧基肉桂酸?
The molecular formula of 4-乙酰氧基-3-甲氧基肉桂酸 is C12H12O5.
What is the molecular weight of 4-乙酰氧基-3-甲氧基肉桂酸?
The molecular weight of 4-乙酰氧基-3-甲氧基肉桂酸 is 236.07 g/mol.
Where can I buy 4-乙酰氧基-3-甲氧基肉桂酸?
You can request a quote for 4-乙酰氧基-3-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 4-乙酰氧基-3-甲氧基肉桂酸?
Yes, KEHONG BIO provides custom synthesis services for 4-乙酰氧基-3-甲氧基肉桂酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.