3-叔戊基-2,6-甲苯甲酸
TL;DR: 3-叔戊基-2,6-甲苯甲酸 (CAS 20717-19-5) is a chemical compound with molecular formula C13H18O3 and molecular weight 222.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-叔戊基-2,6-甲苯甲酸
2-hydroxy-6-methyl-3-(2-methylbutan-2-yl)benzoic acid
Also Known As: 3-tert-Pentyl-2,6-cresotic acid, 2-Methyl-5-tert-amylsalicylic acid, 2,6-CRESOTIC ACID, 3-tert-PENTYL-, 2-hydroxy-6-methyl-3-(2-methylbutan-2-yl)benzoic acid, BRN 2845570
| Molecular Formula | C13H18O3 |
|---|---|
| Molecular Weight | 222.13 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.1256 |
| Heavy Atoms | 16 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 20717-19-5 |
|---|---|
| SMILES | CCC(C)(C)C1=C(C(=C(C=C1)C)C(=O)O)O |
| InChIKey | GTCQVVDGRZVROE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-叔戊基-2,6-甲苯甲酸 (CAS 20717-19-5), with molecular formula C13H18O3 and molecular weight 222.13 g/mol. IUPAC: 2-hydroxy-6-methyl-3-(2-methylbutan-2-yl)benzoic acid.
Chemical Property Profile of 3-叔戊基-2,6-甲苯甲酸
Property Insights of 3-叔戊基-2,6-甲苯甲酸
The XLogP value of 4.2 indicates that 3-叔戊基-2,6-甲苯甲酸 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-叔戊基-2,6-甲苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-叔戊基-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-叔戊基-2,6-甲苯甲酸?
The CAS number of 3-叔戊基-2,6-甲苯甲酸 is 20717-19-5.
What is the molecular formula of 3-叔戊基-2,6-甲苯甲酸?
The molecular formula of 3-叔戊基-2,6-甲苯甲酸 is C13H18O3.
What is the molecular weight of 3-叔戊基-2,6-甲苯甲酸?
The molecular weight of 3-叔戊基-2,6-甲苯甲酸 is 222.13 g/mol.
Where can I buy 3-叔戊基-2,6-甲苯甲酸?
You can request a quote for 3-叔戊基-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-叔戊基-2,6-甲苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-叔戊基-2,6-甲苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.