Propan-2-yl 4-methoxybenzoate
TL;DR: Propan-2-yl 4-methoxybenzoate (CAS 81741-99-3) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-methoxybenzoate
Also Known As: propan-2-yl 4-methoxybenzoate, Isopropyl 4-methoxybenzoate, iso-propyl 4-methoxybenzoate, Isopropyl 4-methoxybenzoate #, 4-methoxy-benzoic acid isopropyl ester
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 81741-99-3 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC=C(C=C1)OC |
| InChIKey | UVCWQNZMIZWZOH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propan-2-yl 4-methoxybenzoate (CAS 81741-99-3), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: propan-2-yl 4-methoxybenzoate.
Chemical Property Profile of Propan-2-yl 4-methoxybenzoate
Property Insights of Propan-2-yl 4-methoxybenzoate
The XLogP value of 3.2 indicates that Propan-2-yl 4-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Propan-2-yl 4-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propan-2-yl 4-methoxybenzoate has 0 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 Propan-2-yl 4-methoxybenzoate?
The CAS number of Propan-2-yl 4-methoxybenzoate is 81741-99-3.
What is the molecular formula of Propan-2-yl 4-methoxybenzoate?
The molecular formula of Propan-2-yl 4-methoxybenzoate is C11H14O3.
What is the molecular weight of Propan-2-yl 4-methoxybenzoate?
The molecular weight of Propan-2-yl 4-methoxybenzoate is 194.09 g/mol.
Where can I buy Propan-2-yl 4-methoxybenzoate?
You can request a quote for Propan-2-yl 4-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-yl 4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.