5-羟基阿魏酸
TL;DR: 5-羟基阿魏酸 (CAS 110642-42-7) is a chemical compound with molecular formula C10H10O5 and molecular weight 210.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-羟基阿魏酸
3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoic acid
Also Known As: 5-Hydroxyferulic acid, 5-Hydroxyferulate, 3,4-dihydroxy-5-methoxycinnamic acid, 2-Propenoic acid, 3-(3,4-dihydroxy-5-methoxyphenyl)-, 2-Propenoicacid,3-(3,4-dihydroxy-5-methoxyphenyl)-
| Molecular Formula | C10H10O5 |
|---|---|
| Molecular Weight | 210.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.05283 |
| Heavy Atoms | 15 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 110642-42-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)O)C=CC(=O)O |
| InChIKey | YFXWTVLDSKSYLW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-羟基阿魏酸 (CAS 110642-42-7), with molecular formula C10H10O5 and molecular weight 210.05 g/mol. IUPAC: 3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoic acid.
Chemical Property Profile of 5-羟基阿魏酸
Property Insights of 5-羟基阿魏酸
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-羟基阿魏酸. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-羟基阿魏酸. Following Lipinski's Rule of Five, 5-羟基阿魏酸 has 3 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 5-羟基阿魏酸?
The CAS number of 5-羟基阿魏酸 is 110642-42-7.
What is the molecular formula of 5-羟基阿魏酸?
The molecular formula of 5-羟基阿魏酸 is C10H10O5.
What is the molecular weight of 5-羟基阿魏酸?
The molecular weight of 5-羟基阿魏酸 is 210.05 g/mol.
Where can I buy 5-羟基阿魏酸?
You can request a quote for 5-羟基阿魏酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-羟基阿魏酸?
Yes, KEHONG BIO provides custom synthesis services for 5-羟基阿魏酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.