1,2-Diacetoxy-4-propylbenzene
TL;DR: 1,2-Diacetoxy-4-propylbenzene (CAS 89266-70-6) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetyloxy-4-propylphenyl) acetate
Also Known As: 4-Dapb, 1,2-Diacetoxy-4-propylbenzene, (2-acetyloxy-4-propylphenyl) acetate, 4-Propyl-1,2-phenylene diacetate, 2-(acetyloxy)-4-propylphenyl acetate
| Molecular Formula | C13H16O4 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 236.10486 |
| Heavy Atoms | 17 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 89266-70-6 |
|---|---|
| SMILES | CCCC1=CC(=C(C=C1)OC(=O)C)OC(=O)C |
| InChIKey | ASXCXYNHCRSLLJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Diacetoxy-4-propylbenzene (CAS 89266-70-6), with molecular formula C13H16O4 and molecular weight 236.10 g/mol. IUPAC: (2-acetyloxy-4-propylphenyl) acetate.
Chemical Property Profile of 1,2-Diacetoxy-4-propylbenzene
Property Insights of 1,2-Diacetoxy-4-propylbenzene
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Diacetoxy-4-propylbenzene. With a topological polar surface area (TPSA) of 52.6 Ų, 1,2-Diacetoxy-4-propylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Diacetoxy-4-propylbenzene has 0 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 1,2-Diacetoxy-4-propylbenzene?
The CAS number of 1,2-Diacetoxy-4-propylbenzene is 89266-70-6.
What is the molecular formula of 1,2-Diacetoxy-4-propylbenzene?
The molecular formula of 1,2-Diacetoxy-4-propylbenzene is C13H16O4.
What is the molecular weight of 1,2-Diacetoxy-4-propylbenzene?
The molecular weight of 1,2-Diacetoxy-4-propylbenzene is 236.10 g/mol.
Where can I buy 1,2-Diacetoxy-4-propylbenzene?
You can request a quote for 1,2-Diacetoxy-4-propylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Diacetoxy-4-propylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Diacetoxy-4-propylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.