3,4-二羟基肉桂酸甲酯
TL;DR: 3,4-二羟基肉桂酸甲酯 (CAS 3843-74-1) is a chemical compound with molecular formula C10H10O4 and molecular weight 194.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-二羟基肉桂酸甲酯
methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
Also Known As: Methyl caffeate, Caffeic acid methyl ester, Methyl caffeate acid, Methyl 3,4-dihydroxycinnamate, methyl 3-(3,4-dihydroxyphenyl)acrylate
| Molecular Formula | C10H10O4 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.0579 |
| Heavy Atoms | 14 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 3843-74-1 |
|---|---|
| SMILES | COC(=O)C=CC1=CC(=C(C=C1)O)O |
| InChIKey | OCNYGKNIVPVPPX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-二羟基肉桂酸甲酯 (CAS 3843-74-1), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate.
Chemical Property Profile of 3,4-二羟基肉桂酸甲酯
Property Insights of 3,4-二羟基肉桂酸甲酯
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-二羟基肉桂酸甲酯. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-二羟基肉桂酸甲酯. Following Lipinski's Rule of Five, 3,4-二羟基肉桂酸甲酯 has 2 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 3,4-二羟基肉桂酸甲酯?
The CAS number of 3,4-二羟基肉桂酸甲酯 is 3843-74-1.
What is the molecular formula of 3,4-二羟基肉桂酸甲酯?
The molecular formula of 3,4-二羟基肉桂酸甲酯 is C10H10O4.
What is the molecular weight of 3,4-二羟基肉桂酸甲酯?
The molecular weight of 3,4-二羟基肉桂酸甲酯 is 194.06 g/mol.
Where can I buy 3,4-二羟基肉桂酸甲酯?
You can request a quote for 3,4-二羟基肉桂酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-二羟基肉桂酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 3,4-二羟基肉桂酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.