异阿魏酸
TL;DR: 异阿魏酸 (CAS 5467-34-5) 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.
异阿魏酸
(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
Also Known As: Isoferulic acid, 3-Hydroxy-4-methoxycinnamic acid, Hesperetic acid, trans-Isoferulic acid, Isoferulate
| 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 | 5467-34-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/C(=O)O)O |
| InChIKey | QURCVMIEKCOAJU-HWKANZROSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异阿魏酸 (CAS 5467-34-5), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid.
Chemical Property Profile of 异阿魏酸
Property Insights of 异阿魏酸
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异阿魏酸. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 异阿魏酸. Following Lipinski's Rule of Five, 异阿魏酸 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 异阿魏酸?
The CAS number of 异阿魏酸 is 5467-34-5.
What is the molecular formula of 异阿魏酸?
The molecular formula of 异阿魏酸 is C10H10O4.
What is the molecular weight of 异阿魏酸?
The molecular weight of 异阿魏酸 is 194.06 g/mol.
Where can I buy 异阿魏酸?
You can request a quote for 异阿魏酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异阿魏酸?
Yes, KEHONG BIO provides custom synthesis services for 异阿魏酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.