1,3-Butanediol dipalmitate
TL;DR: 1,3-Butanediol dipalmitate (CAS 33599-10-9) is a chemical compound with molecular formula C36H70O4 and molecular weight 566.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hexadecanoyloxybutyl hexadecanoate
Also Known As: 1,3-Butanediol dipalmitate, Butane-1,3-diyl dipalmitate, 3-hexadecanoyloxybutyl hexadecanoate, 1,3-Butylene glycol dipalmitate, Palmitic acid, 1-methyltrimethylene ester
| Molecular Formula | C36H70O4 |
|---|---|
| Molecular Weight | 566.53 g/mol |
| LogP | 15.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 34 |
| Exact Mass | 566.5274 |
| Heavy Atoms | 40 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 33599-10-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OCCC(C)OC(=O)CCCCCCCCCCCCCCC |
| InChIKey | XUURJMJXATZVHU-UHFFFAOYSA-N |
Product Overview
1,3-Butanediol dipalmitate (CAS 33599-10-9), with molecular formula C36H70O4 and molecular weight 566.53 g/mol. IUPAC: 3-hexadecanoyloxybutyl hexadecanoate.
Chemical Property Profile of 1,3-Butanediol dipalmitate
Property Insights of 1,3-Butanediol dipalmitate
The XLogP value of 15.4 indicates that 1,3-Butanediol dipalmitate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,3-Butanediol dipalmitate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Butanediol dipalmitate 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 1,3-Butanediol dipalmitate?
The CAS number of 1,3-Butanediol dipalmitate is 33599-10-9.
What is the molecular formula of 1,3-Butanediol dipalmitate?
The molecular formula of 1,3-Butanediol dipalmitate is C36H70O4.
What is the molecular weight of 1,3-Butanediol dipalmitate?
The molecular weight of 1,3-Butanediol dipalmitate is 566.53 g/mol.
Where can I buy 1,3-Butanediol dipalmitate?
You can request a quote for 1,3-Butanediol dipalmitate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Butanediol dipalmitate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Butanediol dipalmitate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.