3-(1,2-二甲基丙基)-2,6-甲苯甲酸
TL;DR: 3-(1,2-二甲基丙基)-2,6-甲苯甲酸 (CAS 20717-17-3) 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-(1,2-二甲基丙基)-2,6-甲苯甲酸
2-hydroxy-6-methyl-3-(3-methylbutan-2-yl)benzoic acid
Also Known As: 2-Methyl-5-(2-(3-methylbutyl))salicylic acid, 3-(1,2-Dimethylpropyl)-2,6-cresotic acid, 2,6-CRESOTIC ACID, 3-(1,2-DIMETHYLPROPYL)-, 2-hydroxy-6-methyl-3-(3-methylbutan-2-yl)benzoic acid, RefChem:1060221
| Molecular Formula | C13H18O3 |
|---|---|
| Molecular Weight | 222.13 g/mol |
| LogP | 3.9 |
| 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 | 250.0 |
Chemical Identifiers
| CAS Number | 20717-17-3 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C(C)C(C)C)O)C(=O)O |
| InChIKey | PGRPMFNLCROCLI-UHFFFAOYSA-N |
Product Overview
3-(1,2-二甲基丙基)-2,6-甲苯甲酸 (CAS 20717-17-3), with molecular formula C13H18O3 and molecular weight 222.13 g/mol. IUPAC: 2-hydroxy-6-methyl-3-(3-methylbutan-2-yl)benzoic acid.
Chemical Property Profile of 3-(1,2-二甲基丙基)-2,6-甲苯甲酸
Property Insights of 3-(1,2-二甲基丙基)-2,6-甲苯甲酸
The XLogP value of 3.9 indicates that 3-(1,2-二甲基丙基)-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-(1,2-二甲基丙基)-2,6-甲苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,2-二甲基丙基)-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-(1,2-二甲基丙基)-2,6-甲苯甲酸?
The CAS number of 3-(1,2-二甲基丙基)-2,6-甲苯甲酸 is 20717-17-3.
What is the molecular formula of 3-(1,2-二甲基丙基)-2,6-甲苯甲酸?
The molecular formula of 3-(1,2-二甲基丙基)-2,6-甲苯甲酸 is C13H18O3.
What is the molecular weight of 3-(1,2-二甲基丙基)-2,6-甲苯甲酸?
The molecular weight of 3-(1,2-二甲基丙基)-2,6-甲苯甲酸 is 222.13 g/mol.
Where can I buy 3-(1,2-二甲基丙基)-2,6-甲苯甲酸?
You can request a quote for 3-(1,2-二甲基丙基)-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-(1,2-二甲基丙基)-2,6-甲苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,2-二甲基丙基)-2,6-甲苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.