3-Isopropylsalicylic acid
TL;DR: 3-Isopropylsalicylic acid (CAS 7053-88-5) 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.
2-hydroxy-3-propan-2-ylbenzoic acid
Also Known As: 2-Hydroxy-3-isopropylbenzoic acid, 3-Isopropylsalicylic acid, 3-Isopropylsalicylic, Salicylic acid, 3-isopropyl-, 2-hydroxy-3-propan-2-ylbenzoic acid
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 3.6 |
| 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 | 189.0 |
Chemical Identifiers
| CAS Number | 7053-88-5 |
|---|---|
| SMILES | CC(C)C1=C(C(=CC=C1)C(=O)O)O |
| InChIKey | XGAYQDWZIPRBPF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Isopropylsalicylic acid (CAS 7053-88-5), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: 2-hydroxy-3-propan-2-ylbenzoic acid.
Chemical Property Profile of 3-Isopropylsalicylic acid
Property Insights of 3-Isopropylsalicylic acid
The XLogP value of 3.6 indicates that 3-Isopropylsalicylic acid 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-Isopropylsalicylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isopropylsalicylic acid 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-Isopropylsalicylic acid?
The CAS number of 3-Isopropylsalicylic acid is 7053-88-5.
What is the molecular formula of 3-Isopropylsalicylic acid?
The molecular formula of 3-Isopropylsalicylic acid is C10H12O3.
What is the molecular weight of 3-Isopropylsalicylic acid?
The molecular weight of 3-Isopropylsalicylic acid is 180.08 g/mol.
Where can I buy 3-Isopropylsalicylic acid?
You can request a quote for 3-Isopropylsalicylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isopropylsalicylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Isopropylsalicylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.