香草基丙酮酸
TL;DR: 香草基丙酮酸 (CAS 1081-71-6) 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.
香草基丙酮酸
3-(4-hydroxy-3-methoxyphenyl)-2-oxopropanoic acid
Also Known As: Vanilpyruvic acid, 4-Hydroxy-3-methoxyphenylpyruvic acid, Vanylpyruvic acid, Hmppa cpd, vanilpyruvate
| Molecular Formula | C10H10O5 |
|---|---|
| Molecular Weight | 210.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.05283 |
| Heavy Atoms | 15 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 1081-71-6 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)CC(=O)C(=O)O)O |
| InChIKey | YGQHQTMRZPHIBB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
香草基丙酮酸 (CAS 1081-71-6), with molecular formula C10H10O5 and molecular weight 210.05 g/mol. IUPAC: 3-(4-hydroxy-3-methoxyphenyl)-2-oxopropanoic acid.
Chemical Property Profile of 香草基丙酮酸
Property Insights of 香草基丙酮酸
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 香草基丙酮酸. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 香草基丙酮酸. Following Lipinski's Rule of Five, 香草基丙酮酸 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 香草基丙酮酸?
The CAS number of 香草基丙酮酸 is 1081-71-6.
What is the molecular formula of 香草基丙酮酸?
The molecular formula of 香草基丙酮酸 is C10H10O5.
What is the molecular weight of 香草基丙酮酸?
The molecular weight of 香草基丙酮酸 is 210.05 g/mol.
Where can I buy 香草基丙酮酸?
You can request a quote for 香草基丙酮酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 香草基丙酮酸?
Yes, KEHONG BIO provides custom synthesis services for 香草基丙酮酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.