异香草酸
TL;DR: 异香草酸 (CAS 645-08-9) is a chemical compound with molecular formula C8H8O4 and molecular weight 168.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异香草酸
3-hydroxy-4-methoxybenzoic acid
Also Known As: Isovanillic acid, 3-HYDROXY-4-METHOXYBENZOIC ACID, Acide isovanillique, 3-Hydroxyanisic acid, 3-Hydroxy-p-anisic acid
| Molecular Formula | C8H8O4 |
|---|---|
| Molecular Weight | 168.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.04225 |
| Heavy Atoms | 12 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 645-08-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)O)O |
| InChIKey | LBKFGYZQBSGRHY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异香草酸 (CAS 645-08-9), with molecular formula C8H8O4 and molecular weight 168.04 g/mol. IUPAC: 3-hydroxy-4-methoxybenzoic acid.
Chemical Property Profile of 异香草酸
Property Insights of 异香草酸
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异香草酸. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 异香草酸. Following Lipinski's Rule of Five, 异香草酸 has 2 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 异香草酸?
The CAS number of 异香草酸 is 645-08-9.
What is the molecular formula of 异香草酸?
The molecular formula of 异香草酸 is C8H8O4.
What is the molecular weight of 异香草酸?
The molecular weight of 异香草酸 is 168.04 g/mol.
Where can I buy 异香草酸?
You can request a quote for 异香草酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异香草酸?
Yes, KEHONG BIO provides custom synthesis services for 异香草酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.