1,2-Propanediol, 3-isobutoxy-, diacetate
TL;DR: 1,2-Propanediol, 3-isobutoxy-, diacetate (CAS 63744-50-3) is a chemical compound with molecular formula C11H20O5 and molecular weight 232.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-acetyloxy-3-(2-methylpropoxy)propyl] acetate
Also Known As: 1,2-Propanediol, 3-isobutoxy-, diacetate, 1-Isobutyl glycerol ether-2,3-diacetate, 5-chloro-Imidazo[1,2-a]pyrazine, 3-isobutoxypropane-1,2-diyl diacetate, Propanetriol, 1-isobutyl ether, 2,3-diacetate
| Molecular Formula | C11H20O5 |
|---|---|
| Molecular Weight | 232.13 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 232.13107 |
| Heavy Atoms | 16 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 63744-50-3 |
|---|---|
| SMILES | CC(C)COCC(COC(=O)C)OC(=O)C |
| InChIKey | VWESURLUVCVBAZ-UHFFFAOYSA-N |
Product Overview
1,2-Propanediol, 3-isobutoxy-, diacetate (CAS 63744-50-3), with molecular formula C11H20O5 and molecular weight 232.13 g/mol. IUPAC: [2-acetyloxy-3-(2-methylpropoxy)propyl] acetate.
Chemical Property Profile of 1,2-Propanediol, 3-isobutoxy-, diacetate
Property Insights of 1,2-Propanediol, 3-isobutoxy-, diacetate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Propanediol, 3-isobutoxy-, diacetate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Propanediol, 3-isobutoxy-, diacetate. Following Lipinski's Rule of Five, 1,2-Propanediol, 3-isobutoxy-, diacetate has 0 hydrogen bond donor(s) and 5 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-Propanediol, 3-isobutoxy-, diacetate?
The CAS number of 1,2-Propanediol, 3-isobutoxy-, diacetate is 63744-50-3.
What is the molecular formula of 1,2-Propanediol, 3-isobutoxy-, diacetate?
The molecular formula of 1,2-Propanediol, 3-isobutoxy-, diacetate is C11H20O5.
What is the molecular weight of 1,2-Propanediol, 3-isobutoxy-, diacetate?
The molecular weight of 1,2-Propanediol, 3-isobutoxy-, diacetate is 232.13 g/mol.
Where can I buy 1,2-Propanediol, 3-isobutoxy-, diacetate?
You can request a quote for 1,2-Propanediol, 3-isobutoxy-, diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Propanediol, 3-isobutoxy-, diacetate?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Propanediol, 3-isobutoxy-, diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.