4-羟基-α-甲基肉桂酸
TL;DR: 4-羟基-α-甲基肉桂酸 (CAS 5325-37-1) is a chemical compound with molecular formula C10H10O3 and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-羟基-α-甲基肉桂酸
3-(4-hydroxyphenyl)-2-methylprop-2-enoic acid
Also Known As: Methyl-p-Cumarsaure, 4-hydroxy-alpha-methylcinnamic acid, 3-(4-hydroxyphenyl)-2-methylprop-2-enoic acid, 2-Propenoic acid, 3-(4-hydroxyphenyl)-2-methyl-, (2E)-, (Z)-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoic acid
| Molecular Formula | C10H10O3 |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.06299 |
| Heavy Atoms | 13 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 5325-37-1 |
|---|---|
| SMILES | CC(=CC1=CC=C(C=C1)O)C(=O)O |
| InChIKey | YNMMLKQHOGURNL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-羟基-α-甲基肉桂酸 (CAS 5325-37-1), with molecular formula C10H10O3 and molecular weight 178.06 g/mol. IUPAC: 3-(4-hydroxyphenyl)-2-methylprop-2-enoic acid.
Chemical Property Profile of 4-羟基-α-甲基肉桂酸
Property Insights of 4-羟基-α-甲基肉桂酸
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-羟基-α-甲基肉桂酸. With a topological polar surface area (TPSA) of 57.5 Ų, 4-羟基-α-甲基肉桂酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-羟基-α-甲基肉桂酸 has 2 hydrogen bond donor(s) and 3 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-羟基-α-甲基肉桂酸?
The CAS number of 4-羟基-α-甲基肉桂酸 is 5325-37-1.
What is the molecular formula of 4-羟基-α-甲基肉桂酸?
The molecular formula of 4-羟基-α-甲基肉桂酸 is C10H10O3.
What is the molecular weight of 4-羟基-α-甲基肉桂酸?
The molecular weight of 4-羟基-α-甲基肉桂酸 is 178.06 g/mol.
Where can I buy 4-羟基-α-甲基肉桂酸?
You can request a quote for 4-羟基-α-甲基肉桂酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-羟基-α-甲基肉桂酸?
Yes, KEHONG BIO provides custom synthesis services for 4-羟基-α-甲基肉桂酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.