3-乙基-2-羟基苯甲酸
TL;DR: 3-乙基-2-羟基苯甲酸 (CAS 4295-51-6) 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.
3-乙基-2-羟基苯甲酸
3-ethyl-2-hydroxybenzoic acid
Also Known As: 3-ethyl-2-hydroxybenzoic acid, 3-ethylsalicylic acid, 3-ethyl-2-hydroxybenzoicacid, 867-668-0, RefChem:279135
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 4295-51-6 |
|---|---|
| SMILES | CCC1=C(C(=CC=C1)C(=O)O)O |
| InChIKey | ZTGYRAPTDJTYGC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-乙基-2-羟基苯甲酸 (CAS 4295-51-6), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: 3-ethyl-2-hydroxybenzoic acid.
Chemical Property Profile of 3-乙基-2-羟基苯甲酸
Property Insights of 3-乙基-2-羟基苯甲酸
The XLogP value of 3.3 indicates that 3-乙基-2-羟基苯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 3-乙基-2-羟基苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-乙基-2-羟基苯甲酸 has 2 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 3-乙基-2-羟基苯甲酸?
The CAS number of 3-乙基-2-羟基苯甲酸 is 4295-51-6.
What is the molecular formula of 3-乙基-2-羟基苯甲酸?
The molecular formula of 3-乙基-2-羟基苯甲酸 is C9H10O3.
What is the molecular weight of 3-乙基-2-羟基苯甲酸?
The molecular weight of 3-乙基-2-羟基苯甲酸 is 166.06 g/mol.
Where can I buy 3-乙基-2-羟基苯甲酸?
You can request a quote for 3-乙基-2-羟基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-乙基-2-羟基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-乙基-2-羟基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.