3-(丁-2-基)-2-羟基-6-甲基苯甲酸
TL;DR: 3-(丁-2-基)-2-羟基-6-甲基苯甲酸 (CAS 20717-16-2) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(丁-2-基)-2-羟基-6-甲基苯甲酸
3-butan-2-yl-2-hydroxy-6-methylbenzoic acid
Also Known As: 2-Methyl-5-sec-butylsalicylic acid, 3-sec-Butyl-2,6-cresotic acid, 2,6-CRESOTIC ACID, 3-sec-BUTYL-, 3-(2-butyl)-6-methylsalicylic acid, 3-butan-2-yl-2-hydroxy-6-methylbenzoic acid
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 20717-16-2 |
|---|---|
| SMILES | CCC(C)C1=C(C(=C(C=C1)C)C(=O)O)O |
| InChIKey | FGQITUMQTPTWMB-UHFFFAOYSA-N |
Product Overview
3-(丁-2-基)-2-羟基-6-甲基苯甲酸 (CAS 20717-16-2), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: 3-butan-2-yl-2-hydroxy-6-methylbenzoic acid.
Chemical Property Profile of 3-(丁-2-基)-2-羟基-6-甲基苯甲酸
Property Insights of 3-(丁-2-基)-2-羟基-6-甲基苯甲酸
The XLogP value of 3.7 indicates that 3-(丁-2-基)-2-羟基-6-甲基苯甲酸 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-(丁-2-基)-2-羟基-6-甲基苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(丁-2-基)-2-羟基-6-甲基苯甲酸 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-(丁-2-基)-2-羟基-6-甲基苯甲酸?
The CAS number of 3-(丁-2-基)-2-羟基-6-甲基苯甲酸 is 20717-16-2.
What is the molecular formula of 3-(丁-2-基)-2-羟基-6-甲基苯甲酸?
The molecular formula of 3-(丁-2-基)-2-羟基-6-甲基苯甲酸 is C12H16O3.
What is the molecular weight of 3-(丁-2-基)-2-羟基-6-甲基苯甲酸?
The molecular weight of 3-(丁-2-基)-2-羟基-6-甲基苯甲酸 is 208.11 g/mol.
Where can I buy 3-(丁-2-基)-2-羟基-6-甲基苯甲酸?
You can request a quote for 3-(丁-2-基)-2-羟基-6-甲基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(丁-2-基)-2-羟基-6-甲基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-(丁-2-基)-2-羟基-6-甲基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.