Propan-2-yl 2-propan-2-yloxybenzoate
TL;DR: Propan-2-yl 2-propan-2-yloxybenzoate (CAS 67801-34-7) is a chemical compound with molecular formula C13H18O3 and molecular weight 222.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-propan-2-yloxybenzoate
Also Known As: propan-2-yl 2-propan-2-yloxybenzoate, ISOPROPYL 2-ISOPROPOXYBENZOATE, Isopropyl 2-isopropoxy-benzoate, propan-2-yl 2-(propan-2-yloxy)benzoate, propan-2-yl2-propan-2-yloxybenzoate
| Molecular Formula | C13H18O3 |
|---|---|
| Molecular Weight | 222.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.1256 |
| Heavy Atoms | 16 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 67801-34-7 |
|---|---|
| SMILES | CC(C)OC1=CC=CC=C1C(=O)OC(C)C |
| InChIKey | NUNWXYXSBPLFAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propan-2-yl 2-propan-2-yloxybenzoate (CAS 67801-34-7), with molecular formula C13H18O3 and molecular weight 222.13 g/mol. IUPAC: propan-2-yl 2-propan-2-yloxybenzoate.
Chemical Property Profile of Propan-2-yl 2-propan-2-yloxybenzoate
Property Insights of Propan-2-yl 2-propan-2-yloxybenzoate
The XLogP value of 3.6 indicates that Propan-2-yl 2-propan-2-yloxybenzoate 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 2-propan-2-yloxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propan-2-yl 2-propan-2-yloxybenzoate 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 2-propan-2-yloxybenzoate?
The CAS number of Propan-2-yl 2-propan-2-yloxybenzoate is 67801-34-7.
What is the molecular formula of Propan-2-yl 2-propan-2-yloxybenzoate?
The molecular formula of Propan-2-yl 2-propan-2-yloxybenzoate is C13H18O3.
What is the molecular weight of Propan-2-yl 2-propan-2-yloxybenzoate?
The molecular weight of Propan-2-yl 2-propan-2-yloxybenzoate is 222.13 g/mol.
Where can I buy Propan-2-yl 2-propan-2-yloxybenzoate?
You can request a quote for Propan-2-yl 2-propan-2-yloxybenzoate 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 2-propan-2-yloxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 2-propan-2-yloxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.