2,5-二羟基肉桂酸
TL;DR: 2,5-二羟基肉桂酸 (CAS 38489-67-7) is a chemical compound with molecular formula C9H8O4 and molecular weight 180.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-二羟基肉桂酸
3-(2,5-dihydroxyphenyl)prop-2-enoic acid
Also Known As: 2,5-Dihydroxycinnamic acid, (E)-3-(2,5-Dihydroxyphenyl)acrylic acid, 2-Propenoic acid, 3-(2,5-dihydroxyphenyl)-, (E)-3-(2,5-dihydroxyphenyl)prop-2-enoic Acid, 3-(2,5-dihydroxyphenyl)prop-2-enoic acid
| Molecular Formula | C9H8O4 |
|---|---|
| Molecular Weight | 180.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.04225 |
| Heavy Atoms | 13 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 38489-67-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1O)C=CC(=O)O)O |
| InChIKey | JXIPYOZBOMUUCA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-二羟基肉桂酸 (CAS 38489-67-7), with molecular formula C9H8O4 and molecular weight 180.04 g/mol. IUPAC: 3-(2,5-dihydroxyphenyl)prop-2-enoic acid.
Chemical Property Profile of 2,5-二羟基肉桂酸
Property Insights of 2,5-二羟基肉桂酸
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-二羟基肉桂酸. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-二羟基肉桂酸. Following Lipinski's Rule of Five, 2,5-二羟基肉桂酸 has 3 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 2,5-二羟基肉桂酸?
The CAS number of 2,5-二羟基肉桂酸 is 38489-67-7.
What is the molecular formula of 2,5-二羟基肉桂酸?
The molecular formula of 2,5-二羟基肉桂酸 is C9H8O4.
What is the molecular weight of 2,5-二羟基肉桂酸?
The molecular weight of 2,5-二羟基肉桂酸 is 180.04 g/mol.
Where can I buy 2,5-二羟基肉桂酸?
You can request a quote for 2,5-二羟基肉桂酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-二羟基肉桂酸?
Yes, KEHONG BIO provides custom synthesis services for 2,5-二羟基肉桂酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.