Anhydroenneaheptitol 3,5-distearate
TL;DR: Anhydroenneaheptitol 3,5-distearate (CAS 67953-14-4) is a chemical compound with molecular formula C45H86O8 and molecular weight 754.63 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-hydroxy-3,5-bis(hydroxymethyl)-5-(octadecanoyloxymethyl)oxan-3-yl]methyl octadecanoate
Also Known As: Anhydroenneaheptitol 3,5-distearate, Anhydroenneaheptitol-3,5-distearate, 1,5-anhydro-2,4-dideoxy-2,4-bis(hydroxymethyl)-2,4-bis[(octadecanoyloxy)methyl]pentitol, Bis [[tetrahydro-4-hydroxy-3,5-bis -2H-pyran]-3,5-diyl]bis ester, Octadecanoic acid, (tetrahydro-4-hydroxy-3,5-bis(hydroxymethyl)-2H-pyran-3,5-diyl)bis(methylene) ester
| Molecular Formula | C45H86O8 |
|---|---|
| Molecular Weight | 754.63 g/mol |
| LogP | 15.2 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 40 |
| Exact Mass | 754.63226 |
| Heavy Atoms | 53 |
| Complexity | 786.0 |
Chemical Identifiers
| CAS Number | 67953-14-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC1(COCC(C1O)(CO)COC(=O)CCCCCCCCCCCCCCCCC)CO |
| InChIKey | FTTUXMDJGRNMLP-UHFFFAOYSA-N |
Product Overview
Anhydroenneaheptitol 3,5-distearate (CAS 67953-14-4), with molecular formula C45H86O8 and molecular weight 754.63 g/mol. IUPAC: [4-hydroxy-3,5-bis(hydroxymethyl)-5-(octadecanoyloxymethyl)oxan-3-yl]methyl octadecanoate.
Chemical Property Profile of Anhydroenneaheptitol 3,5-distearate
Property Insights of Anhydroenneaheptitol 3,5-distearate
The XLogP value of 15.2 indicates that Anhydroenneaheptitol 3,5-distearate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Anhydroenneaheptitol 3,5-distearate. Following Lipinski's Rule of Five, Anhydroenneaheptitol 3,5-distearate has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Anhydroenneaheptitol 3,5-distearate?
The CAS number of Anhydroenneaheptitol 3,5-distearate is 67953-14-4.
What is the molecular formula of Anhydroenneaheptitol 3,5-distearate?
The molecular formula of Anhydroenneaheptitol 3,5-distearate is C45H86O8.
What is the molecular weight of Anhydroenneaheptitol 3,5-distearate?
The molecular weight of Anhydroenneaheptitol 3,5-distearate is 754.63 g/mol.
Where can I buy Anhydroenneaheptitol 3,5-distearate?
You can request a quote for Anhydroenneaheptitol 3,5-distearate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anhydroenneaheptitol 3,5-distearate?
Yes, KEHONG BIO provides custom synthesis services for Anhydroenneaheptitol 3,5-distearate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.