Kelletinin I
TL;DR: Kelletinin I (CAS 87697-99-2) is a chemical compound with molecular formula C32H26O12 and molecular weight 602.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R)-2,3,4-tris[(4-hydroxybenzoyl)oxy]butyl] 4-hydroxybenzoate
Also Known As: Kelletinin I, Erythrityl tetrakis (4-hydroxybenzoate), Erythritol tetra(4-hydroxybenzoate), Tetrakis(4-hydroxybenzoyl)erythritol, [Erythrityl tetrakis(p-hydroxybenzoate)]
| Molecular Formula | C32H26O12 |
|---|---|
| Molecular Weight | 602.14 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 602.14246 |
| Heavy Atoms | 44 |
| Complexity | 863.0 |
Chemical Identifiers
| CAS Number | 87697-99-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OC[C@H]([C@H](COC(=O)C2=CC=C(C=C2)O)OC(=O)C3=CC=C(C=C3)O)OC(=O)C4=CC=C(C=C4)O)O |
| InChIKey | UFYXGHSICNSXJL-HNRBIFIRSA-N |
Product Overview
Kelletinin I (CAS 87697-99-2), with molecular formula C32H26O12 and molecular weight 602.14 g/mol. IUPAC: [(2S,3R)-2,3,4-tris[(4-hydroxybenzoyl)oxy]butyl] 4-hydroxybenzoate.
Chemical Property Profile of Kelletinin I
Property Insights of Kelletinin I
The XLogP value of 5.1 indicates that Kelletinin I is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 186.0 Ų indicates high polarity, suggesting Kelletinin I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Kelletinin I has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Kelletinin I?
The CAS number of Kelletinin I is 87697-99-2.
What is the molecular formula of Kelletinin I?
The molecular formula of Kelletinin I is C32H26O12.
What is the molecular weight of Kelletinin I?
The molecular weight of Kelletinin I is 602.14 g/mol.
Where can I buy Kelletinin I?
You can request a quote for Kelletinin I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kelletinin I?
Yes, KEHONG BIO provides custom synthesis services for Kelletinin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.