4-乙氧基间茴香酸
TL;DR: 4-乙氧基间茴香酸 (CAS 3535-30-6) is a chemical compound with molecular formula C10H12O4 and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-乙氧基间茴香酸
4-ethoxy-3-methoxybenzoic acid
Also Known As: 4-ethoxy-3-methoxybenzoic acid, 4-Ethoxy-m-anisic acid, Hexamethylacetone, 4-Ethoxy-3-methoxy-benzoic acid, 3-Methoxy-4-ethoxybenzoic acid
| Molecular Formula | C10H12O4 |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.07356 |
| Heavy Atoms | 14 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 3535-30-6 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)O)OC |
| InChIKey | LBYKODYNFRCBIR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-乙氧基间茴香酸 (CAS 3535-30-6), with molecular formula C10H12O4 and molecular weight 196.07 g/mol. IUPAC: 4-ethoxy-3-methoxybenzoic acid.
Chemical Property Profile of 4-乙氧基间茴香酸
Property Insights of 4-乙氧基间茴香酸
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-乙氧基间茴香酸. With a topological polar surface area (TPSA) of 55.8 Ų, 4-乙氧基间茴香酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-乙氧基间茴香酸 has 1 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 4-乙氧基间茴香酸?
The CAS number of 4-乙氧基间茴香酸 is 3535-30-6.
What is the molecular formula of 4-乙氧基间茴香酸?
The molecular formula of 4-乙氧基间茴香酸 is C10H12O4.
What is the molecular weight of 4-乙氧基间茴香酸?
The molecular weight of 4-乙氧基间茴香酸 is 196.07 g/mol.
Where can I buy 4-乙氧基间茴香酸?
You can request a quote for 4-乙氧基间茴香酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-乙氧基间茴香酸?
Yes, KEHONG BIO provides custom synthesis services for 4-乙氧基间茴香酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.