1,3-Propanediol, 2,2-diethyl-, diacetate
TL;DR: 1,3-Propanediol, 2,2-diethyl-, diacetate (CAS 63834-77-5) is a chemical compound with molecular formula C11H20O4 and molecular weight 216.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(acetyloxymethyl)-2-ethylbutyl] acetate
Also Known As: 1,3-Propanediol, 2,2-diethyl-, diacetate, 2,2-Diethyl-1,3-propanediol diacetate, 1, 2,2-diethyl-, diacetate, 2-(acetoxymethyl)-2-ethylbutyl acetate, [2-(acetyloxymethyl)-2-ethylbutyl] acetate
| Molecular Formula | C11H20O4 |
|---|---|
| Molecular Weight | 216.14 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 216.13615 |
| Heavy Atoms | 15 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 63834-77-5 |
|---|---|
| SMILES | CCC(CC)(COC(=O)C)COC(=O)C |
| InChIKey | QERZBQVBUHVAFS-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2,2-diethyl-, diacetate (CAS 63834-77-5), with molecular formula C11H20O4 and molecular weight 216.14 g/mol. IUPAC: [2-(acetyloxymethyl)-2-ethylbutyl] acetate.
Chemical Property Profile of 1,3-Propanediol, 2,2-diethyl-, diacetate
Property Insights of 1,3-Propanediol, 2,2-diethyl-, diacetate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2,2-diethyl-, diacetate. With a topological polar surface area (TPSA) of 52.6 Ų, 1,3-Propanediol, 2,2-diethyl-, diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediol, 2,2-diethyl-, diacetate 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 1,3-Propanediol, 2,2-diethyl-, diacetate?
The CAS number of 1,3-Propanediol, 2,2-diethyl-, diacetate is 63834-77-5.
What is the molecular formula of 1,3-Propanediol, 2,2-diethyl-, diacetate?
The molecular formula of 1,3-Propanediol, 2,2-diethyl-, diacetate is C11H20O4.
What is the molecular weight of 1,3-Propanediol, 2,2-diethyl-, diacetate?
The molecular weight of 1,3-Propanediol, 2,2-diethyl-, diacetate is 216.14 g/mol.
Where can I buy 1,3-Propanediol, 2,2-diethyl-, diacetate?
You can request a quote for 1,3-Propanediol, 2,2-diethyl-, diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Propanediol, 2,2-diethyl-, diacetate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2,2-diethyl-, diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.