Isopropyl 3-hydroxybenzoate
TL;DR: Isopropyl 3-hydroxybenzoate (CAS 1164558-12-6) 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.
propan-2-yl 3-hydroxybenzoate
Also Known As: Isopropyl 3-hydroxybenzoate, propan-2-yl 3-hydroxybenzoate, Isopropyl3-hydroxybenzoate, methylethyl 3-hydroxybenzoate, Isopropyl 3-hydroxybenzoate #
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 1164558-12-6 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC(=CC=C1)O |
| InChIKey | VANDBVAFPVUVNX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl 3-hydroxybenzoate (CAS 1164558-12-6), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: propan-2-yl 3-hydroxybenzoate.
Chemical Property Profile of Isopropyl 3-hydroxybenzoate
Property Insights of Isopropyl 3-hydroxybenzoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl 3-hydroxybenzoate. With a topological polar surface area (TPSA) of 46.5 Ų, Isopropyl 3-hydroxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 3-hydroxybenzoate has 1 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 Isopropyl 3-hydroxybenzoate?
The CAS number of Isopropyl 3-hydroxybenzoate is 1164558-12-6.
What is the molecular formula of Isopropyl 3-hydroxybenzoate?
The molecular formula of Isopropyl 3-hydroxybenzoate is C10H12O3.
What is the molecular weight of Isopropyl 3-hydroxybenzoate?
The molecular weight of Isopropyl 3-hydroxybenzoate is 180.08 g/mol.
Where can I buy Isopropyl 3-hydroxybenzoate?
You can request a quote for Isopropyl 3-hydroxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 3-hydroxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 3-hydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.