Hexadecanoic acid, 1-carboxyethyl ester, monoester with 1,2,3-propanetriol
TL;DR: Hexadecanoic acid, 1-carboxyethyl ester, monoester with 1,2,3-propanetriol (CAS 1335-49-5) is a chemical compound with molecular formula C22H42O6 and molecular weight 402.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(2,3-dihydroxypropoxy)-1-oxopropan-2-yl] hexadecanoate
Also Known As: Dpaa-Pt, 2-(Hexadecanoyloxy)propionic acid, monoester with glycerol, 1-(2,3-dihydroxypropoxy)-1-oxopropan-2-yl hexadecanoate, [1-(2,3-dihydroxypropoxy)-1-oxopropan-2-yl] hexadecanoate, Hexadecanoic acid, 1-carboxyethyl ester, monoester with 1,2,3-propanetriol
| Molecular Formula | C22H42O6 |
|---|---|
| Molecular Weight | 402.30 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 21 |
| Exact Mass | 402.29813 |
| Heavy Atoms | 28 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 1335-49-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OCC(CO)O |
| InChIKey | DCOCIAQCXDPXPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexadecanoic acid, 1-carboxyethyl ester, monoester with 1,2,3-propanetriol (CAS 1335-49-5), with molecular formula C22H42O6 and molecular weight 402.30 g/mol. IUPAC: [1-(2,3-dihydroxypropoxy)-1-oxopropan-2-yl] hexadecanoate.
Chemical Property Profile of Hexadecanoic acid, 1-carboxyethyl ester, monoester with 1,2,3-propanetriol
Property Insights of Hexadecanoic acid, 1-carboxyethyl ester, monoester with 1,2,3-propanetriol
The XLogP value of 6.5 indicates that Hexadecanoic acid, 1-carboxyethyl ester, monoester with 1,2,3-propanetriol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexadecanoic acid, 1-carboxyethyl ester, monoester with 1,2,3-propanetriol. Following Lipinski's Rule of Five, Hexadecanoic acid, 1-carboxyethyl ester, monoester with 1,2,3-propanetriol has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexadecanoic acid, 1-carboxyethyl ester, monoester with 1,2,3-propanetriol?
The CAS number of Hexadecanoic acid, 1-carboxyethyl ester, monoester with 1,2,3-propanetriol is 1335-49-5.
What is the molecular formula of Hexadecanoic acid, 1-carboxyethyl ester, monoester with 1,2,3-propanetriol?
The molecular formula of Hexadecanoic acid, 1-carboxyethyl ester, monoester with 1,2,3-propanetriol is C22H42O6.
What is the molecular weight of Hexadecanoic acid, 1-carboxyethyl ester, monoester with 1,2,3-propanetriol?
The molecular weight of Hexadecanoic acid, 1-carboxyethyl ester, monoester with 1,2,3-propanetriol is 402.30 g/mol.
Where can I buy Hexadecanoic acid, 1-carboxyethyl ester, monoester with 1,2,3-propanetriol?
You can request a quote for Hexadecanoic acid, 1-carboxyethyl ester, monoester with 1,2,3-propanetriol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexadecanoic acid, 1-carboxyethyl ester, monoester with 1,2,3-propanetriol?
Yes, KEHONG BIO provides custom synthesis services for Hexadecanoic acid, 1-carboxyethyl ester, monoester with 1,2,3-propanetriol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.