Isopropyl 4-hydroxy-3-methoxybenzoate
TL;DR: Isopropyl 4-hydroxy-3-methoxybenzoate (CAS 175796-45-9) is a chemical compound with molecular formula C11H14O4 and molecular weight 210.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-hydroxy-3-methoxybenzoate
Also Known As: ISP-VT, Isopropyl vanillate, isopropyl 4-hydroxy-3-methoxybenzoate, starbld0004518, propan-2-yl 4-hydroxy-3-methoxybenzoate
| Molecular Formula | C11H14O4 |
|---|---|
| Molecular Weight | 210.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.0892 |
| Heavy Atoms | 15 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 175796-45-9 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC(=C(C=C1)O)OC |
| InChIKey | LLBXZZOFEUAEOM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl 4-hydroxy-3-methoxybenzoate (CAS 175796-45-9), with molecular formula C11H14O4 and molecular weight 210.09 g/mol. IUPAC: propan-2-yl 4-hydroxy-3-methoxybenzoate.
Chemical Property Profile of Isopropyl 4-hydroxy-3-methoxybenzoate
Property Insights of Isopropyl 4-hydroxy-3-methoxybenzoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl 4-hydroxy-3-methoxybenzoate. With a topological polar surface area (TPSA) of 55.8 Ų, Isopropyl 4-hydroxy-3-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 4-hydroxy-3-methoxybenzoate has 1 hydrogen bond donor(s) and 4 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 4-hydroxy-3-methoxybenzoate?
The CAS number of Isopropyl 4-hydroxy-3-methoxybenzoate is 175796-45-9.
What is the molecular formula of Isopropyl 4-hydroxy-3-methoxybenzoate?
The molecular formula of Isopropyl 4-hydroxy-3-methoxybenzoate is C11H14O4.
What is the molecular weight of Isopropyl 4-hydroxy-3-methoxybenzoate?
The molecular weight of Isopropyl 4-hydroxy-3-methoxybenzoate is 210.09 g/mol.
Where can I buy Isopropyl 4-hydroxy-3-methoxybenzoate?
You can request a quote for Isopropyl 4-hydroxy-3-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 4-hydroxy-3-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 4-hydroxy-3-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.