AF 57
TL;DR: AF 57 (CAS 96107-38-9) is a chemical compound with molecular formula C26H34O5 and molecular weight 426.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(2R,3aS,3bS,5aS,6R,8bR,10aS)-2,6-diethynyl-6-hydroxy-3a,5a-dimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-2-yl]oxy]-4-oxobutanoic acid
Also Known As: AF 57, A-Norpregn-20-yne-2,17-diol, 2-ethynyl-, 2-(hydrogen butanedioate), (2-beta,5-alpha,17-alpha)-, 4-[[(2R,3aS,3bS,5aS,6R,8bR,10aS)-2,6-diethynyl-6-hydroxy-3a,5a-dimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-2-yl]oxy]-4-oxobutanoic acid, 4-[(2,6-Diethynyl-6-hydroxy-3a,5a-dimethylhexadecahydrodicyclopenta[a,f]naphthalen-2-yl)oxy]-4-oxobutanoic acid, 4-{[(2R,3aS,3bS,5aS,6R,8bR,10aS)-2,6-Diethynyl-6-hydroxy-3a,5a-dimethylhexadecahydrodicyclopenta[a,f]naphthalen-2-yl]oxy}-4-oxobutanoic acid
| Molecular Formula | C26H34O5 |
|---|---|
| Molecular Weight | 426.24 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.24063 |
| Heavy Atoms | 31 |
| Complexity | 890.0 |
Chemical Identifiers
| CAS Number | 96107-38-9 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H](C1CC[C@]2(C#C)O)CC[C@@H]4[C@@]3(C[C@](C4)(C#C)OC(=O)CCC(=O)O)C |
| InChIKey | QFWXVJBIZHFTCE-NHVJKOCDSA-N |
Product Overview
AF 57 (CAS 96107-38-9), with molecular formula C26H34O5 and molecular weight 426.24 g/mol. IUPAC: 4-[[(2R,3aS,3bS,5aS,6R,8bR,10aS)-2,6-diethynyl-6-hydroxy-3a,5a-dimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-2-yl]oxy]-4-oxobutanoic acid.
Chemical Property Profile of AF 57
Property Insights of AF 57
The XLogP value of 3.6 indicates that AF 57 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for AF 57. Following Lipinski's Rule of Five, AF 57 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF 57?
The CAS number of AF 57 is 96107-38-9.
What is the molecular formula of AF 57?
The molecular formula of AF 57 is C26H34O5.
What is the molecular weight of AF 57?
The molecular weight of AF 57 is 426.24 g/mol.
Where can I buy AF 57?
You can request a quote for AF 57 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF 57?
Yes, KEHONG BIO provides custom synthesis services for AF 57 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.