芥子酸
TL;DR: 芥子酸 (CAS 7362-37-0) is a chemical compound with molecular formula C11H12O5 and molecular weight 224.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
芥子酸
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid
Also Known As: Sinapinic acid, SINAPIC ACID, trans-sinapic acid, 3,5-Dimethoxy-4-hydroxycinnamic acid, Sinapate
| Molecular Formula | C11H12O5 |
|---|---|
| Molecular Weight | 224.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.06847 |
| Heavy Atoms | 16 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 7362-37-0 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)OC)/C=C/C(=O)O |
| InChIKey | PCMORTLOPMLEFB-ONEGZZNKSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
芥子酸 (CAS 7362-37-0), with molecular formula C11H12O5 and molecular weight 224.07 g/mol. IUPAC: (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid.
Chemical Property Profile of 芥子酸
Property Insights of 芥子酸
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 芥子酸. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 芥子酸. Following Lipinski's Rule of Five, 芥子酸 has 2 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 芥子酸?
The CAS number of 芥子酸 is 7362-37-0.
What is the molecular formula of 芥子酸?
The molecular formula of 芥子酸 is C11H12O5.
What is the molecular weight of 芥子酸?
The molecular weight of 芥子酸 is 224.07 g/mol.
Where can I buy 芥子酸?
You can request a quote for 芥子酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 芥子酸?
Yes, KEHONG BIO provides custom synthesis services for 芥子酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.