Aneron nyscaps
TL;DR: Aneron nyscaps (CAS 74890-30-5) is a chemical compound with molecular formula C54H67BrN8O12 and molecular weight 1098.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine;ethyl 4-aminobenzoate;[(1R,2S,4R,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate;1,3,7-trimethylpurine-2,6-dione;hydrobromide
Also Known As: Aneron nyscaps, Benzeneacetic acid, alpha-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo(3.3.1.0(sup 2,4))non-7-yl ester, (7-(S)-(1-alpha,2-beta,4-beta,5-alpha,7-beta))-, hydrobromide, mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, N,N-dimethyl-gamma-phenyl-2-pyridinepropanamine (Z)-2-butenedioate (1:1) and ethyl 4-aminobenzoate
| Molecular Formula | C54H67BrN8O12 |
|---|---|
| Molecular Weight | 1098.41 g/mol |
| LogP | 4.7892 |
| Topological Polar Surface Area | 267.17 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 13 |
| Exact Mass | 1098.4061 |
| Heavy Atoms | 75 |
| Complexity | 2860.8413 |
Chemical Identifiers
| CAS Number | 74890-30-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.CN1[C@@H]2CC(C[C@H]1[C@@H]3[C@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4.CN(C)CCC(C1=CC=CC=C1)C2=CC=CC=N2.C(=C/C(=O)O)\C(=O)O.Br |
Product Overview
Aneron nyscaps (CAS 74890-30-5), with molecular formula C54H67BrN8O12 and molecular weight 1098.41 g/mol. IUPAC: (E)-but-2-enedioic acid;N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine;ethyl 4-aminobenzoate;[(1R,2S,4R,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate;1,3,7-trimethylpurine-2,6-dione;hydrobromide.
Chemical Property Profile of Aneron nyscaps
Property Insights of Aneron nyscaps
The XLogP value of 4.7892 indicates that Aneron nyscaps is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 267.17 Ų indicates high polarity, suggesting Aneron nyscaps may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aneron nyscaps has 4 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aneron nyscaps?
The CAS number of Aneron nyscaps is 74890-30-5.
What is the molecular formula of Aneron nyscaps?
The molecular formula of Aneron nyscaps is C54H67BrN8O12.
What is the molecular weight of Aneron nyscaps?
The molecular weight of Aneron nyscaps is 1098.41 g/mol.
Where can I buy Aneron nyscaps?
You can request a quote for Aneron nyscaps directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aneron nyscaps?
Yes, KEHONG BIO provides custom synthesis services for Aneron nyscaps and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.