26-Demethyl-26-ethyl-28-oxooligomycin A
TL;DR: 26-Demethyl-26-ethyl-28-oxooligomycin A (CAS 125616-18-4) is a chemical compound with molecular formula C46H74O12 and molecular weight 818.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4E,5'S,6S,6'S,7R,8S,10R,11R,12S,14R,15S,16R,18Z,20Z,22R,25S,27S,28S)-22,28-diethyl-7,11,14,15-tetrahydroxy-6'-[(2R)-2-hydroxypropyl]-5',6,8,10,12,14,16,29-octamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3,3',9,13-tetrone
Also Known As: 44-Homooligomycin B, NK86-O279I, 26-Demethyl-26-ethyl-28-oxooligomycin A, NK86-0279 I, Oligomycin A, 26-demethyl-26-ethyl-28-oxo-
| Molecular Formula | C46H74O12 |
|---|---|
| Molecular Weight | 818.52 g/mol |
| LogP | 5.4517 |
| Topological Polar Surface Area | 197.12 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 818.518 |
| Heavy Atoms | 58 |
| Complexity | 1484.1237 |
Chemical Identifiers
| CAS Number | 125616-18-4 |
|---|---|
| SMILES | CC[C@@H]\1CC[C@H]2C([C@H]([C@@H]([C@]3(O2)C(=O)C[C@@H]([C@@H](O3)C[C@@H](C)O)C)CC)OC(=O)/C=C/[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H]([C@@H](C(=O)[C@]([C@H]([C@@H](C/C=C\C=C1)C)O)(C)O)C)O)C)C)O)C)C |
Product Overview
26-Demethyl-26-ethyl-28-oxooligomycin A (CAS 125616-18-4), with molecular formula C46H74O12 and molecular weight 818.52 g/mol. IUPAC: (1R,4E,5'S,6S,6'S,7R,8S,10R,11R,12S,14R,15S,16R,18Z,20Z,22R,25S,27S,28S)-22,28-diethyl-7,11,14,15-tetrahydroxy-6'-[(2R)-2-hydroxypropyl]-5',6,8,10,12,14,16,29-octamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3,3',9,13-tetrone.
Chemical Property Profile of 26-Demethyl-26-ethyl-28-oxooligomycin A
Property Insights of 26-Demethyl-26-ethyl-28-oxooligomycin A
The XLogP value of 5.4517 indicates that 26-Demethyl-26-ethyl-28-oxooligomycin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 197.12 Ų indicates high polarity, suggesting 26-Demethyl-26-ethyl-28-oxooligomycin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 26-Demethyl-26-ethyl-28-oxooligomycin A 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 26-Demethyl-26-ethyl-28-oxooligomycin A?
The CAS number of 26-Demethyl-26-ethyl-28-oxooligomycin A is 125616-18-4.
What is the molecular formula of 26-Demethyl-26-ethyl-28-oxooligomycin A?
The molecular formula of 26-Demethyl-26-ethyl-28-oxooligomycin A is C46H74O12.
What is the molecular weight of 26-Demethyl-26-ethyl-28-oxooligomycin A?
The molecular weight of 26-Demethyl-26-ethyl-28-oxooligomycin A is 818.52 g/mol.
Where can I buy 26-Demethyl-26-ethyl-28-oxooligomycin A?
You can request a quote for 26-Demethyl-26-ethyl-28-oxooligomycin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 26-Demethyl-26-ethyl-28-oxooligomycin A?
Yes, KEHONG BIO provides custom synthesis services for 26-Demethyl-26-ethyl-28-oxooligomycin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.