Aralionine A
TL;DR: Aralionine A (CAS 21761-48-8) is a chemical compound with molecular formula C34H38N4O5 and molecular weight 582.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-N-[(3R,4S,7S,10Z)-7-benzoyl-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-2-(dimethylamino)-3-methylpentanamide
Also Known As: Aralionine A, Aralionine, aralionine-A, (2S,3S)-N-[(3R,4S,7S,10Z)-7-benzoyl-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-2-(dimethylamino)-3-methylpentanamide, 2-Oxa-6,9-diazabicyclo(10.2.2)hexadecane, pentanamide deriv.
| Molecular Formula | C34H38N4O5 |
|---|---|
| Molecular Weight | 582.28 g/mol |
| LogP | 3.736 |
| Topological Polar Surface Area | 116.84 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 582.28424 |
| Heavy Atoms | 43 |
| Complexity | 1440.6257 |
Chemical Identifiers
| CAS Number | 21761-48-8 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@H]1[C@H](OC2=CC=C(C=C2)/C=C\NC(=O)[C@@H](NC1=O)C(=O)C3=CC=CC=C3)C4=CC=CC=C4)N(C)C |
Product Overview
Aralionine A (CAS 21761-48-8), with molecular formula C34H38N4O5 and molecular weight 582.28 g/mol. IUPAC: (2S,3S)-N-[(3R,4S,7S,10Z)-7-benzoyl-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-2-(dimethylamino)-3-methylpentanamide.
Chemical Property Profile of Aralionine A
Property Insights of Aralionine A
The XLogP value of 3.736 indicates that Aralionine A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Aralionine A. Following Lipinski's Rule of Five, Aralionine A has 3 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 Aralionine A?
The CAS number of Aralionine A is 21761-48-8.
What is the molecular formula of Aralionine A?
The molecular formula of Aralionine A is C34H38N4O5.
What is the molecular weight of Aralionine A?
The molecular weight of Aralionine A is 582.28 g/mol.
Where can I buy Aralionine A?
You can request a quote for Aralionine A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aralionine A?
Yes, KEHONG BIO provides custom synthesis services for Aralionine A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.