Einecs 234-275-5
TL;DR: Einecs 234-275-5 (CAS 4955-81-1) is a chemical compound with molecular formula C45H72O12 and molecular weight 804.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
22-ethyl-7,11,14,15-tetrahydroxy-6'-(2-hydroxypropyl)-5',6,8,10,12,14,16,28,29-nonamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3,3',9,13-tetrone
Also Known As: Oligomycin B, Oligomycin A, 28-oxo-, Methyl 2-chloro-3-oxobutanoate, EINECS 234-275-5, N-(3,4-dichlorophenyl)cyanothioformanilide
| Molecular Formula | C45H72O12 |
|---|---|
| Molecular Weight | 804.50 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 3 |
| Exact Mass | 804.5024 |
| Heavy Atoms | 57 |
| Complexity | 1470.0 |
Chemical Identifiers
| CAS Number | 4955-81-1 |
|---|---|
| SMILES | CCC1CCC2C(C(C(C3(O2)C(=O)CC(C(O3)CC(C)O)C)C)OC(=O)C=CC(C(C(C(=O)C(C(C(C(=O)C(C(C(CC=CC=C1)C)O)(C)O)C)O)C)C)O)C)C |
| InChIKey | QPRQJOHKNJIMGN-UHFFFAOYSA-N |
Product Overview
Einecs 234-275-5 (CAS 4955-81-1), with molecular formula C45H72O12 and molecular weight 804.50 g/mol. IUPAC: 22-ethyl-7,11,14,15-tetrahydroxy-6'-(2-hydroxypropyl)-5',6,8,10,12,14,16,28,29-nonamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3,3',9,13-tetrone.
Chemical Property Profile of Einecs 234-275-5
Property Insights of Einecs 234-275-5
The XLogP value of 6.1 indicates that Einecs 234-275-5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 197.0 Ų indicates high polarity, suggesting Einecs 234-275-5 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 234-275-5 has 5 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 Einecs 234-275-5?
The CAS number of Einecs 234-275-5 is 4955-81-1.
What is the molecular formula of Einecs 234-275-5?
The molecular formula of Einecs 234-275-5 is C45H72O12.
What is the molecular weight of Einecs 234-275-5?
The molecular weight of Einecs 234-275-5 is 804.50 g/mol.
Where can I buy Einecs 234-275-5?
You can request a quote for Einecs 234-275-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 234-275-5?
Yes, KEHONG BIO provides custom synthesis services for Einecs 234-275-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.