Sorbitan, isooctadecanoate
TL;DR: Sorbitan, isooctadecanoate (CAS 71902-01-7) is a chemical compound with molecular formula C23H48O8 and molecular weight 452.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-methylheptadecanoic acid;(2S,3R,4S)-pentane-1,1,2,3,4,5-hexol
Also Known As: Sorbitan, isooctadecanoate, Isostearic acid, sorbitan esters, EC 276-171-2, 16-methylheptadecanoic acid;(2S,3R,4S)-pentane-1,1,2,3,4,5-hexol, 16-methylheptadecanoic acid; (2S,3R,4S)-pentane-1,1,2,3,4,5-hexol
| Molecular Formula | C23H48O8 |
|---|---|
| Molecular Weight | 452.33 g/mol |
| LogP | 2.5605 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 19 |
| Exact Mass | 452.33493 |
| Heavy Atoms | 31 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 71902-01-7 |
|---|---|
| SMILES | CC(C)CCCCCCCCCCCCCCC(=O)O.C([C@@H]([C@H]([C@@H](C(O)O)O)O)O)O |
| InChIKey | DAPHOROYFQLVHF-DAPNYWPISA-N |
Product Overview
Sorbitan, isooctadecanoate (CAS 71902-01-7), with molecular formula C23H48O8 and molecular weight 452.33 g/mol. IUPAC: 16-methylheptadecanoic acid;(2S,3R,4S)-pentane-1,1,2,3,4,5-hexol.
Chemical Property Profile of Sorbitan, isooctadecanoate
Property Insights of Sorbitan, isooctadecanoate
The XLogP value of 2.5605 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sorbitan, isooctadecanoate. The TPSA of 159.0 Ų indicates high polarity, suggesting Sorbitan, isooctadecanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sorbitan, isooctadecanoate has 7 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 Sorbitan, isooctadecanoate?
The CAS number of Sorbitan, isooctadecanoate is 71902-01-7.
What is the molecular formula of Sorbitan, isooctadecanoate?
The molecular formula of Sorbitan, isooctadecanoate is C23H48O8.
What is the molecular weight of Sorbitan, isooctadecanoate?
The molecular weight of Sorbitan, isooctadecanoate is 452.33 g/mol.
Where can I buy Sorbitan, isooctadecanoate?
You can request a quote for Sorbitan, isooctadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sorbitan, isooctadecanoate?
Yes, KEHONG BIO provides custom synthesis services for Sorbitan, isooctadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.