香草醇乙酸
TL;DR: 香草醇乙酸 (CAS 23230-96-8) is a chemical compound with molecular formula C9H8O5 and molecular weight 196.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
香草醇乙酸
2-(4-hydroxy-3-methoxyphenyl)-2-oxoacetic acid
Also Known As: Vanilglycolic acid, 2-(4-hydroxy-3-methoxyphenyl)-2-oxoacetic acid, vanilloylformic acid, (4-hydroxy-3-methoxyphenyl)(oxo)acetic acid, 4-Hydroxy-3-methoxy-alpha-oxobenzeneacetic acid
| Molecular Formula | C9H8O5 |
|---|---|
| Molecular Weight | 196.04 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.03717 |
| Heavy Atoms | 14 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 23230-96-8 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C(=O)C(=O)O)O |
| InChIKey | HQAYTVADCVBACX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
香草醇乙酸 (CAS 23230-96-8), with molecular formula C9H8O5 and molecular weight 196.04 g/mol. IUPAC: 2-(4-hydroxy-3-methoxyphenyl)-2-oxoacetic acid.
Chemical Property Profile of 香草醇乙酸
Property Insights of 香草醇乙酸
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 香草醇乙酸. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 香草醇乙酸. Following Lipinski's Rule of Five, 香草醇乙酸 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 香草醇乙酸?
The CAS number of 香草醇乙酸 is 23230-96-8.
What is the molecular formula of 香草醇乙酸?
The molecular formula of 香草醇乙酸 is C9H8O5.
What is the molecular weight of 香草醇乙酸?
The molecular weight of 香草醇乙酸 is 196.04 g/mol.
Where can I buy 香草醇乙酸?
You can request a quote for 香草醇乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 香草醇乙酸?
Yes, KEHONG BIO provides custom synthesis services for 香草醇乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.