4-乙氧基苯甲酸
TL;DR: 4-乙氧基苯甲酸 (CAS 619-86-3) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-乙氧基苯甲酸
4-ethoxybenzoic acid
Also Known As: 4-ETHOXYBENZOIC ACID, p-Ethoxybenzoic acid, Benzoic acid, 4-ethoxy-, 4-EthoxybenzoicAcid, Benzoic acid, p-ethoxy-
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 619-86-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)O |
| InChIKey | SHSGDXCJYVZFTP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-乙氧基苯甲酸 (CAS 619-86-3), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: 4-ethoxybenzoic acid.
Chemical Property Profile of 4-乙氧基苯甲酸
Property Insights of 4-乙氧基苯甲酸
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-乙氧基苯甲酸. With a topological polar surface area (TPSA) of 46.5 Ų, 4-乙氧基苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-乙氧基苯甲酸 has 1 hydrogen bond donor(s) and 3 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-乙氧基苯甲酸?
The CAS number of 4-乙氧基苯甲酸 is 619-86-3.
What is the molecular formula of 4-乙氧基苯甲酸?
The molecular formula of 4-乙氧基苯甲酸 is C9H10O3.
What is the molecular weight of 4-乙氧基苯甲酸?
The molecular weight of 4-乙氧基苯甲酸 is 166.06 g/mol.
Where can I buy 4-乙氧基苯甲酸?
You can request a quote for 4-乙氧基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-乙氧基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-乙氧基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.