p-Diacetylbenzene diethyl ketal
TL;DR: p-Diacetylbenzene diethyl ketal (CAS 47189-08-2) is a chemical compound with molecular formula C18H30O4 and molecular weight 310.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-bis(1,1-diethoxyethyl)benzene
Also Known As: p-Diacetylbenzene diethyl ketal, 1,4-bis(1,1-diethoxyethyl)benzene, p-diacetylbenzene bis(ethyl ketal)
| Molecular Formula | C18H30O4 |
|---|---|
| Molecular Weight | 310.21 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 36.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 310.21442 |
| Heavy Atoms | 22 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 47189-08-2 |
|---|---|
| SMILES | CCOC(C)(C1=CC=C(C=C1)C(C)(OCC)OCC)OCC |
| InChIKey | OKYWFWIKJZITQH-UHFFFAOYSA-N |
Product Overview
p-Diacetylbenzene diethyl ketal (CAS 47189-08-2), with molecular formula C18H30O4 and molecular weight 310.21 g/mol. IUPAC: 1,4-bis(1,1-diethoxyethyl)benzene.
Chemical Property Profile of p-Diacetylbenzene diethyl ketal
Property Insights of p-Diacetylbenzene diethyl ketal
The XLogP value of 3.0 indicates that p-Diacetylbenzene diethyl ketal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.9 Ų, p-Diacetylbenzene diethyl ketal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Diacetylbenzene diethyl ketal 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 p-Diacetylbenzene diethyl ketal?
The CAS number of p-Diacetylbenzene diethyl ketal is 47189-08-2.
What is the molecular formula of p-Diacetylbenzene diethyl ketal?
The molecular formula of p-Diacetylbenzene diethyl ketal is C18H30O4.
What is the molecular weight of p-Diacetylbenzene diethyl ketal?
The molecular weight of p-Diacetylbenzene diethyl ketal is 310.21 g/mol.
Where can I buy p-Diacetylbenzene diethyl ketal?
You can request a quote for p-Diacetylbenzene diethyl ketal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Diacetylbenzene diethyl ketal?
Yes, KEHONG BIO provides custom synthesis services for p-Diacetylbenzene diethyl ketal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.