Dansyl alprenolol
TL;DR: Dansyl alprenolol (CAS 912-61-8) is a chemical compound with molecular formula C27H34N2O5S and molecular weight 498.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(dimethylamino)-N-[(2S)-2-hydroxy-3-(4-prop-2-enoxyphenoxy)propyl]-N-propan-2-ylnaphthalene-1-sulfonamide
Also Known As: Dansyl alprenolol, Dansyl-L-alprenolol, 2-Methoxy-4-(2-propenyl)phenol,mixt. with zinc oxide, 5-(dimethylamino)-N-[(2S)-2-hydroxy-3-(4-prop-2-enoxyphenoxy)propyl]-N-propan-2-ylnaphthalene-1-sulfonamide, 1-Naphthalenesulfonamide, 5-(dimethylamino)-N-(2-hydroxy-3-(4-(2-propenyloxy)phenoxy)propyl)-N-(1-methylethyl)-, (S)-
| Molecular Formula | C27H34N2O5S |
|---|---|
| Molecular Weight | 498.22 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 498.21884 |
| Heavy Atoms | 35 |
| Complexity | 745.0 |
Chemical Identifiers
| CAS Number | 912-61-8 |
|---|---|
| SMILES | CC(C)N(C[C@@H](COC1=CC=C(C=C1)OCC=C)O)S(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C |
| InChIKey | VOMHLVCDGPYODA-NRFANRHFSA-N |
Product Overview
Dansyl alprenolol (CAS 912-61-8), with molecular formula C27H34N2O5S and molecular weight 498.22 g/mol. IUPAC: 5-(dimethylamino)-N-[(2S)-2-hydroxy-3-(4-prop-2-enoxyphenoxy)propyl]-N-propan-2-ylnaphthalene-1-sulfonamide.
Chemical Property Profile of Dansyl alprenolol
Property Insights of Dansyl alprenolol
The XLogP value of 4.9 indicates that Dansyl alprenolol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dansyl alprenolol. Following Lipinski's Rule of Five, Dansyl alprenolol has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dansyl alprenolol?
The CAS number of Dansyl alprenolol is 912-61-8.
What is the molecular formula of Dansyl alprenolol?
The molecular formula of Dansyl alprenolol is C27H34N2O5S.
What is the molecular weight of Dansyl alprenolol?
The molecular weight of Dansyl alprenolol is 498.22 g/mol.
Where can I buy Dansyl alprenolol?
You can request a quote for Dansyl alprenolol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dansyl alprenolol?
Yes, KEHONG BIO provides custom synthesis services for Dansyl alprenolol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.