阿他卢仑
TL;DR: 阿他卢仑 (CAS 775304-57-9) is a chemical compound with molecular formula C25H23N7O4 and molecular weight 485.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿他卢仑
[3-[(E)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
Also Known As: Ataluren, PTC124, BAS 00535043, BRD-K17119186-001-01-8, 3-(5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl)benzoic acid
| Molecular Formula | C25H23N7O4 |
|---|---|
| Molecular Weight | 485.18 g/mol |
| LogP | 3.71 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 485.18115 |
| Heavy Atoms | 36 |
| Complexity | 1323.5143 |
Chemical Identifiers
| CAS Number | 775304-57-9 |
|---|---|
| SMILES | C1COCCN1C2=NC(=NC(=N2)N/N=C/C3=CC(=CC=C3)OC(=O)C4=CC=CO4)NC5=CC=CC=C5 |
Product Overview
阿他卢仑 (CAS 775304-57-9), with molecular formula C25H23N7O4 and molecular weight 485.18 g/mol. IUPAC: [3-[(E)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate.
Chemical Property Profile of 阿他卢仑
Property Insights of 阿他卢仑
The XLogP value of 3.71 indicates that 阿他卢仑 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 阿他卢仑. Following Lipinski's Rule of Five, 阿他卢仑 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 阿他卢仑?
The CAS number of 阿他卢仑 is 775304-57-9.
What is the molecular formula of 阿他卢仑?
The molecular formula of 阿他卢仑 is C25H23N7O4.
What is the molecular weight of 阿他卢仑?
The molecular weight of 阿他卢仑 is 485.18 g/mol.
Where can I buy 阿他卢仑?
You can request a quote for 阿他卢仑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿他卢仑?
Yes, KEHONG BIO provides custom synthesis services for 阿他卢仑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.