Alprenolol-nbd
TL;DR: Alprenolol-nbd (CAS 6139-09-9) is a chemical compound with molecular formula C22H27N5O5 and molecular weight 441.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-methyl-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propyl]amino]-3-(2-prop-2-enylphenoxy)propan-2-ol
Also Known As: Alprenolol-nbd, Alp-NBD, 2-Propanol, 1-((2-methyl-2-((7-nitro-4-benzofurazanyl)amino)propyl)amino)-3-(2-(2-propenyl)phenoxy)-, 1-[[2-methyl-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propyl]amino]-3-(2-prop-2-enylphenoxy)propan-2-ol, 7-(2-Allylphenoxy)-2,2-dimethyl-6-hydroxy-1-(7-(4-nitrobenzo-2-oxa-1,3-diazolyl))-1,4-diazaheptane
| Molecular Formula | C22H27N5O5 |
|---|---|
| Molecular Weight | 441.20 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 441.20123 |
| Heavy Atoms | 32 |
| Complexity | 616.0 |
Chemical Identifiers
| CAS Number | 6139-09-9 |
|---|---|
| SMILES | CC(C)(CNCC(COC1=CC=CC=C1CC=C)O)NC2=CC=C(C3=NON=C23)[N+](=O)[O-] |
| InChIKey | KQHAFFYCWJNDNM-UHFFFAOYSA-N |
Product Overview
Alprenolol-nbd (CAS 6139-09-9), with molecular formula C22H27N5O5 and molecular weight 441.20 g/mol. IUPAC: 1-[[2-methyl-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propyl]amino]-3-(2-prop-2-enylphenoxy)propan-2-ol.
Chemical Property Profile of Alprenolol-nbd
Property Insights of Alprenolol-nbd
The XLogP value of 3.3 indicates that Alprenolol-nbd is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Alprenolol-nbd. Following Lipinski's Rule of Five, Alprenolol-nbd has 3 hydrogen bond donor(s) and 9 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 Alprenolol-nbd?
The CAS number of Alprenolol-nbd is 6139-09-9.
What is the molecular formula of Alprenolol-nbd?
The molecular formula of Alprenolol-nbd is C22H27N5O5.
What is the molecular weight of Alprenolol-nbd?
The molecular weight of Alprenolol-nbd is 441.20 g/mol.
Where can I buy Alprenolol-nbd?
You can request a quote for Alprenolol-nbd directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alprenolol-nbd?
Yes, KEHONG BIO provides custom synthesis services for Alprenolol-nbd and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.