1,3-Butylene glycol distearate
TL;DR: 1,3-Butylene glycol distearate (CAS 14251-40-2) is a chemical compound with molecular formula C40H78O4 and molecular weight 622.59 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-octadecanoyloxybutyl octadecanoate
Also Known As: 1,3-Butanediol, distearate, 1,3-Butylene glycol distearate, Bisstearic acid 1,3-butanediyl, Stearic acid, 1-methyltrimethylene ester, 1,3-butanediol distearate
| Molecular Formula | C40H78O4 |
|---|---|
| Molecular Weight | 622.59 g/mol |
| LogP | 17.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 38 |
| Exact Mass | 622.59 |
| Heavy Atoms | 44 |
| Complexity | 590.0 |
Chemical Identifiers
| CAS Number | 14251-40-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCCC(C)OC(=O)CCCCCCCCCCCCCCCCC |
| InChIKey | XTQUSEDRZLDHRC-UHFFFAOYSA-N |
Product Overview
1,3-Butylene glycol distearate (CAS 14251-40-2), with molecular formula C40H78O4 and molecular weight 622.59 g/mol. IUPAC: 3-octadecanoyloxybutyl octadecanoate.
Chemical Property Profile of 1,3-Butylene glycol distearate
Property Insights of 1,3-Butylene glycol distearate
The XLogP value of 17.6 indicates that 1,3-Butylene glycol distearate 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-Butylene glycol distearate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Butylene glycol distearate 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-Butylene glycol distearate?
The CAS number of 1,3-Butylene glycol distearate is 14251-40-2.
What is the molecular formula of 1,3-Butylene glycol distearate?
The molecular formula of 1,3-Butylene glycol distearate is C40H78O4.
What is the molecular weight of 1,3-Butylene glycol distearate?
The molecular weight of 1,3-Butylene glycol distearate is 622.59 g/mol.
Where can I buy 1,3-Butylene glycol distearate?
You can request a quote for 1,3-Butylene glycol distearate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Butylene glycol distearate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Butylene glycol distearate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.