1,2-Propanediol, 3-(hexadecyloxy)-, diacetate
TL;DR: 1,2-Propanediol, 3-(hexadecyloxy)-, diacetate (CAS 21994-82-1) is a chemical compound with molecular formula C23H44O5 and molecular weight 400.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetyloxy-3-hexadecoxypropyl) acetate
Also Known As: 1,2-propanediol,3-,diacetate, 1-O-hexadecyl glycerol diacetate, 1,2-Propanediol,3- -,diacetate, (2-acetyloxy-3-hexadecoxypropyl) acetate, 1-O-Hexadecyl-2-O,3-O-diacetylglycerol
| Molecular Formula | C23H44O5 |
|---|---|
| Molecular Weight | 400.32 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 22 |
| Exact Mass | 400.31888 |
| Heavy Atoms | 28 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 21994-82-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOCC(COC(=O)C)OC(=O)C |
| InChIKey | RNBQLCHIPDBXCF-UHFFFAOYSA-N |
Product Overview
1,2-Propanediol, 3-(hexadecyloxy)-, diacetate (CAS 21994-82-1), with molecular formula C23H44O5 and molecular weight 400.32 g/mol. IUPAC: (2-acetyloxy-3-hexadecoxypropyl) acetate.
Chemical Property Profile of 1,2-Propanediol, 3-(hexadecyloxy)-, diacetate
Property Insights of 1,2-Propanediol, 3-(hexadecyloxy)-, diacetate
The XLogP value of 7.7 indicates that 1,2-Propanediol, 3-(hexadecyloxy)-, diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Propanediol, 3-(hexadecyloxy)-, diacetate. Following Lipinski's Rule of Five, 1,2-Propanediol, 3-(hexadecyloxy)-, diacetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2-Propanediol, 3-(hexadecyloxy)-, diacetate?
The CAS number of 1,2-Propanediol, 3-(hexadecyloxy)-, diacetate is 21994-82-1.
What is the molecular formula of 1,2-Propanediol, 3-(hexadecyloxy)-, diacetate?
The molecular formula of 1,2-Propanediol, 3-(hexadecyloxy)-, diacetate is C23H44O5.
What is the molecular weight of 1,2-Propanediol, 3-(hexadecyloxy)-, diacetate?
The molecular weight of 1,2-Propanediol, 3-(hexadecyloxy)-, diacetate is 400.32 g/mol.
Where can I buy 1,2-Propanediol, 3-(hexadecyloxy)-, diacetate?
You can request a quote for 1,2-Propanediol, 3-(hexadecyloxy)-, 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-(hexadecyloxy)-, diacetate?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Propanediol, 3-(hexadecyloxy)-, diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.