1-Sec-butoxy-1-oxopropan-2-yl laurate
TL;DR: 1-Sec-butoxy-1-oxopropan-2-yl laurate (CAS 5987-76-8) is a chemical compound with molecular formula C19H36O4 and molecular weight 328.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-butan-2-yloxy-1-oxopropan-2-yl) dodecanoate
Also Known As: 1-sec-butoxy-1-oxopropan-2-yl laurate, (1-butan-2-yloxy-1-oxopropan-2-yl) dodecanoate, 2-lauroyloxy-propionic acid sec-butyl ester, dodecanoic acid 1-s-butoxycarbonyl-ethyl ester, 2-(3-aminophenyl)-quinoline-4-carboxylic acid
| Molecular Formula | C19H36O4 |
|---|---|
| Molecular Weight | 328.26 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 328.26135 |
| Heavy Atoms | 23 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 5987-76-8 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)CC |
| InChIKey | MEVZTXIQRRPMCG-UHFFFAOYSA-N |
Product Overview
1-Sec-butoxy-1-oxopropan-2-yl laurate (CAS 5987-76-8), with molecular formula C19H36O4 and molecular weight 328.26 g/mol. IUPAC: (1-butan-2-yloxy-1-oxopropan-2-yl) dodecanoate.
Chemical Property Profile of 1-Sec-butoxy-1-oxopropan-2-yl laurate
Property Insights of 1-Sec-butoxy-1-oxopropan-2-yl laurate
The XLogP value of 6.9 indicates that 1-Sec-butoxy-1-oxopropan-2-yl laurate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1-Sec-butoxy-1-oxopropan-2-yl laurate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Sec-butoxy-1-oxopropan-2-yl laurate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Sec-butoxy-1-oxopropan-2-yl laurate?
The CAS number of 1-Sec-butoxy-1-oxopropan-2-yl laurate is 5987-76-8.
What is the molecular formula of 1-Sec-butoxy-1-oxopropan-2-yl laurate?
The molecular formula of 1-Sec-butoxy-1-oxopropan-2-yl laurate is C19H36O4.
What is the molecular weight of 1-Sec-butoxy-1-oxopropan-2-yl laurate?
The molecular weight of 1-Sec-butoxy-1-oxopropan-2-yl laurate is 328.26 g/mol.
Where can I buy 1-Sec-butoxy-1-oxopropan-2-yl laurate?
You can request a quote for 1-Sec-butoxy-1-oxopropan-2-yl laurate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Sec-butoxy-1-oxopropan-2-yl laurate?
Yes, KEHONG BIO provides custom synthesis services for 1-Sec-butoxy-1-oxopropan-2-yl laurate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.