ANQ 9040
TL;DR: ANQ 9040 (CAS 142021-80-5) is a chemical compound with molecular formula C36H58N2O5S and molecular weight 630.4066 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(4aS,4bR,6aS,8R,10aS,10bS,12aS)-8-(azepan-1-ylmethyl)-1,1,10a,12a-tetramethyl-2,3,4,4a,4b,5,6,6a,7,9,10,10b,11,12-tetradecahydronaphtho[2,1-f]quinolin-1-ium-8-yl] acetate;benzenesulfonate
Also Known As: ANQ 9040, 3b-(1'-Hexamethyleneiminomethyl)-3a-acetoxy-17a,17a-dimethyl-17a-aza-D-homo-5a-androstane besylate, (4aS,4bR,6aS,8R,10aS,10bS,12aS)-8-acetoxy-8-(azepan-1-ylmethyl)-1,1,10a,12a-tetramethyloctadecahydronaphtho[2,1-f]quinolin-1-ium benzenesulfonate, [(4aS,4bR,6aS,8R,10aS,10bS,12aS)-8-(azepan-1-ylmethyl)-1,1,10a,12a-tetramethyl-2,3,4,4a,4b,5,6,6a,7,9,10,10b,11,12-tetradecahydronaphtho[2,1-f]quinolin-1-ium-8-yl] acetate;benzenesulfonate, J3I865H026
Technical Specifications
| Molecular Formula | C36H58N2O5S |
| Molecular Weight | 630.4066 g/mol |
| XLogP | 6.6265 |
| Topological Polar Surface Area (TPSA) | 95.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 630.4066 Da |
| Heavy Atoms | 44 |
| Complexity | 929.0 |
| SMILES | CC(=O)O[C@@]1(CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC[N+]4(C)C)C)C)CN5CCCCCC5.C1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | MUVZCNJMKMCHMD-IBSDALFFSA-M |
Chemical Property Profile of ANQ 9040
Property Insights of ANQ 9040
The XLogP value of 6.6265 indicates that ANQ 9040 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ANQ 9040. Following Lipinski's Rule of Five, ANQ 9040 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of ANQ 9040?
The CAS number of ANQ 9040 is 142021-80-5.
What is the molecular formula of ANQ 9040?
The molecular formula of ANQ 9040 is C36H58N2O5S.
What is the molecular weight of ANQ 9040?
The molecular weight of ANQ 9040 is 630.4066 g/mol.
Where can I buy ANQ 9040?
You can request a quote for ANQ 9040 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ANQ 9040?
Yes, CoreyChem provides custom synthesis services for ANQ 9040 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.