Abiadin
TL;DR: Abiadin (CAS 76157-57-8) is a chemical compound with molecular formula C57H85Br2ClN6O15S and molecular weight 1318.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butanedioic acid;2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]aniline;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine;bis(5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol);sulfuric acid;hydrochloride
Also Known As: Abiadin, Butanedioic acid, cpd with N,N-dimethyl-2-(1-phenyl-1-(2-pyridinyl)ethoxy)ethanamine (1:1), mixt. with 2-amino-3,5-dibromo-N-cyclohexyl-N-methylbenzenemethanamine monohydrochloride & 5-(1-hydroxy-2-((1-methylethyl)amino)ethyl)-1,3-benzenediol sulfate (2:1) (salt), butanedioic acid; 2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]aniline; N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine; 5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol; sulfuric acid; hydrochloride
| Molecular Formula | C57H85Br2ClN6O15S |
|---|---|
| Molecular Weight | 1318.38 g/mol |
| LogP | 9.4448 |
| Topological Polar Surface Area | 358.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 20 |
| Exact Mass | 1318.3849 |
| Heavy Atoms | 82 |
| Complexity | 883.0 |
Chemical Identifiers
| CAS Number | 76157-57-8 |
|---|---|
| SMILES | CC(C)NCC(C1=CC(=CC(=C1)O)O)O.CC(C)NCC(C1=CC(=CC(=C1)O)O)O.CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C.CN(CC1=C(C(=CC(=C1)Br)Br)N)C2CCCCC2.C(CC(=O)O)C(=O)O.OS(=O)(=O)O.Cl |
| InChIKey | QIQSPBXYROQUID-UHFFFAOYSA-N |
Product Overview
Abiadin (CAS 76157-57-8), with molecular formula C57H85Br2ClN6O15S and molecular weight 1318.38 g/mol. IUPAC: butanedioic acid;2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]aniline;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine;bis(5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol);sulfuric acid;hydrochloride.
Chemical Property Profile of Abiadin
Property Insights of Abiadin
The XLogP value of 9.4448 indicates that Abiadin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 358.0 Ų indicates high polarity, suggesting Abiadin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Abiadin has 14 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Abiadin?
The CAS number of Abiadin is 76157-57-8.
What is the molecular formula of Abiadin?
The molecular formula of Abiadin is C57H85Br2ClN6O15S.
What is the molecular weight of Abiadin?
The molecular weight of Abiadin is 1318.38 g/mol.
Where can I buy Abiadin?
You can request a quote for Abiadin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Abiadin?
Yes, KEHONG BIO provides custom synthesis services for Abiadin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.