3-乙基-2,6-甲苯甲酸
TL;DR: 3-乙基-2,6-甲苯甲酸 (CAS 20717-15-1) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-乙基-2,6-甲苯甲酸
3-ethyl-2-hydroxy-6-methylbenzoic acid
Also Known As: 3-Ethyl-2,6-cresotic acid, 2-Methyl-5-ethylsalicylic acid, 2,6-CRESOTIC ACID, 3-ETHYL-, 3-ethyl-2-hydroxy-6-methylbenzoic acid, 2,6-CRESOTIC ACID,3-ETHYL
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 20717-15-1 |
|---|---|
| SMILES | CCC1=C(C(=C(C=C1)C)C(=O)O)O |
| InChIKey | YZEVAVNJHBUZFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-乙基-2,6-甲苯甲酸 (CAS 20717-15-1), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: 3-ethyl-2-hydroxy-6-methylbenzoic acid.
Chemical Property Profile of 3-乙基-2,6-甲苯甲酸
Property Insights of 3-乙基-2,6-甲苯甲酸
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-乙基-2,6-甲苯甲酸. With a topological polar surface area (TPSA) of 57.5 Ų, 3-乙基-2,6-甲苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-乙基-2,6-甲苯甲酸 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-2,6-甲苯甲酸?
The CAS number of 3-乙基-2,6-甲苯甲酸 is 20717-15-1.
What is the molecular formula of 3-乙基-2,6-甲苯甲酸?
The molecular formula of 3-乙基-2,6-甲苯甲酸 is C10H12O3.
What is the molecular weight of 3-乙基-2,6-甲苯甲酸?
The molecular weight of 3-乙基-2,6-甲苯甲酸 is 180.08 g/mol.
Where can I buy 3-乙基-2,6-甲苯甲酸?
You can request a quote for 3-乙基-2,6-甲苯甲酸 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-2,6-甲苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-乙基-2,6-甲苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.