4-Isopropoxybenzoic acid
TL;DR: 4-Isopropoxybenzoic acid (CAS 13205-46-4) 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.
4-propan-2-yloxybenzoic acid
Also Known As: 4-Isopropoxybenzoic acid, Benzoic acid, 4-(1-methylethoxy)-, 4-iso-Propyloxybenzoic acid, 4-propan-2-yloxybenzoic acid, 4-(propan-2-yloxy)benzoic acid
| 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 | 169.0 |
Chemical Identifiers
| CAS Number | 13205-46-4 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)C(=O)O |
| InChIKey | ZVERWTXKKWSSHH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Isopropoxybenzoic acid (CAS 13205-46-4), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: 4-propan-2-yloxybenzoic acid.
Chemical Property Profile of 4-Isopropoxybenzoic acid
Property Insights of 4-Isopropoxybenzoic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isopropoxybenzoic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 4-Isopropoxybenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isopropoxybenzoic acid 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 4-Isopropoxybenzoic acid?
The CAS number of 4-Isopropoxybenzoic acid is 13205-46-4.
What is the molecular formula of 4-Isopropoxybenzoic acid?
The molecular formula of 4-Isopropoxybenzoic acid is C10H12O3.
What is the molecular weight of 4-Isopropoxybenzoic acid?
The molecular weight of 4-Isopropoxybenzoic acid is 180.08 g/mol.
Where can I buy 4-Isopropoxybenzoic acid?
You can request a quote for 4-Isopropoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isopropoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Isopropoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.