26-Acetamido-22-oxocholest-5-ene-3,16-diyl diacetate
TL;DR: 26-Acetamido-22-oxocholest-5-ene-3,16-diyl diacetate (CAS 30040-80-3) is a chemical compound with molecular formula C33H51NO6 and molecular weight 557.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[17-(7-acetamido-6-methyl-3-oxoheptan-2-yl)-16-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: 26-Acetamido-22-oxocholest-5-ene-3,16-diyl diacetate, [17-(7-acetamido-6-methyl-3-oxoheptan-2-yl)-16-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
| Molecular Formula | C33H51NO6 |
|---|---|
| Molecular Weight | 557.37 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 98.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 557.37164 |
| Heavy Atoms | 40 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 30040-80-3 |
|---|---|
| SMILES | CC(CCC(=O)C(C)C1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)OC(=O)C)CNC(=O)C |
| InChIKey | GZONFALFKXDQAG-UHFFFAOYSA-N |
Product Overview
26-Acetamido-22-oxocholest-5-ene-3,16-diyl diacetate (CAS 30040-80-3), with molecular formula C33H51NO6 and molecular weight 557.37 g/mol. IUPAC: [17-(7-acetamido-6-methyl-3-oxoheptan-2-yl)-16-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of 26-Acetamido-22-oxocholest-5-ene-3,16-diyl diacetate
Property Insights of 26-Acetamido-22-oxocholest-5-ene-3,16-diyl diacetate
The XLogP value of 5.2 indicates that 26-Acetamido-22-oxocholest-5-ene-3,16-diyl diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 26-Acetamido-22-oxocholest-5-ene-3,16-diyl diacetate. Following Lipinski's Rule of Five, 26-Acetamido-22-oxocholest-5-ene-3,16-diyl diacetate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 26-Acetamido-22-oxocholest-5-ene-3,16-diyl diacetate?
The CAS number of 26-Acetamido-22-oxocholest-5-ene-3,16-diyl diacetate is 30040-80-3.
What is the molecular formula of 26-Acetamido-22-oxocholest-5-ene-3,16-diyl diacetate?
The molecular formula of 26-Acetamido-22-oxocholest-5-ene-3,16-diyl diacetate is C33H51NO6.
What is the molecular weight of 26-Acetamido-22-oxocholest-5-ene-3,16-diyl diacetate?
The molecular weight of 26-Acetamido-22-oxocholest-5-ene-3,16-diyl diacetate is 557.37 g/mol.
Where can I buy 26-Acetamido-22-oxocholest-5-ene-3,16-diyl diacetate?
You can request a quote for 26-Acetamido-22-oxocholest-5-ene-3,16-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 26-Acetamido-22-oxocholest-5-ene-3,16-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for 26-Acetamido-22-oxocholest-5-ene-3,16-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.