Anhydroenneaheptitol monostearate
TL;DR: Anhydroenneaheptitol monostearate (CAS 67953-13-3) is a chemical compound with molecular formula C27H52O7 and molecular weight 488.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-hydroxy-3,5,5-tris(hydroxymethyl)oxan-3-yl]methyl octadecanoate
Also Known As: Anhydroenneaheptitol monostearate, (Tetrahydro-4-hydroxy-3,5,5-tris(hydroxymethyl)-2H-pyran-3-yl)methyl stearate, [4-hydroxy-3,5,5-tris(hydroxymethyl)oxan-3-yl]methyl octadecanoate, 1,5-anhydro-2,4-dideoxy-2,2,4-tris(hydroxymethyl)-4-[(stearoyloxy)methyl]pentitol, Octadecanoic acid, (tetrahydro-4-hydroxy-3,5,5-tris(hydroxymethyl)-2H-pyran-3-yl)methyl ester
| Molecular Formula | C27H52O7 |
|---|---|
| Molecular Weight | 488.37 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 22 |
| Exact Mass | 488.3713 |
| Heavy Atoms | 34 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 67953-13-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC1(COCC(C1O)(CO)CO)CO |
| InChIKey | BPFNDUHQLDMVAQ-UHFFFAOYSA-N |
Product Overview
Anhydroenneaheptitol monostearate (CAS 67953-13-3), with molecular formula C27H52O7 and molecular weight 488.37 g/mol. IUPAC: [4-hydroxy-3,5,5-tris(hydroxymethyl)oxan-3-yl]methyl octadecanoate.
Chemical Property Profile of Anhydroenneaheptitol monostearate
Property Insights of Anhydroenneaheptitol monostearate
The XLogP value of 6.3 indicates that Anhydroenneaheptitol monostearate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Anhydroenneaheptitol monostearate. Following Lipinski's Rule of Five, Anhydroenneaheptitol monostearate has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Anhydroenneaheptitol monostearate?
The CAS number of Anhydroenneaheptitol monostearate is 67953-13-3.
What is the molecular formula of Anhydroenneaheptitol monostearate?
The molecular formula of Anhydroenneaheptitol monostearate is C27H52O7.
What is the molecular weight of Anhydroenneaheptitol monostearate?
The molecular weight of Anhydroenneaheptitol monostearate is 488.37 g/mol.
Where can I buy Anhydroenneaheptitol monostearate?
You can request a quote for Anhydroenneaheptitol monostearate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anhydroenneaheptitol monostearate?
Yes, KEHONG BIO provides custom synthesis services for Anhydroenneaheptitol monostearate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.