Diacetylnadolol
TL;DR: Diacetylnadolol (CAS 84742-92-7) is a chemical compound with molecular formula C21H31NO6 and molecular weight 393.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-acetyloxy-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate
Also Known As: Diacetylnadolol, Nadolol diacetate, [3-acetyloxy-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,, [3-acetyloxy-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate, 2,3-Naphthalenediol, 5-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-1,2,3,4-tetrahydro-, 2,3-diacetate
| Molecular Formula | C21H31NO6 |
|---|---|
| Molecular Weight | 393.22 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 94.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 393.21515 |
| Heavy Atoms | 28 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 84742-92-7 |
|---|---|
| SMILES | CC(=O)OC1CC2=C(CC1OC(=O)C)C(=CC=C2)OCC(CNC(C)(C)C)O |
| InChIKey | RMEPOLDBANNDKX-UHFFFAOYSA-N |
Product Overview
Diacetylnadolol (CAS 84742-92-7), with molecular formula C21H31NO6 and molecular weight 393.22 g/mol. IUPAC: [3-acetyloxy-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate.
Chemical Property Profile of Diacetylnadolol
Property Insights of Diacetylnadolol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diacetylnadolol. The TPSA of 94.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Diacetylnadolol. Following Lipinski's Rule of Five, Diacetylnadolol has 2 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 Diacetylnadolol?
The CAS number of Diacetylnadolol is 84742-92-7.
What is the molecular formula of Diacetylnadolol?
The molecular formula of Diacetylnadolol is C21H31NO6.
What is the molecular weight of Diacetylnadolol?
The molecular weight of Diacetylnadolol is 393.22 g/mol.
Where can I buy Diacetylnadolol?
You can request a quote for Diacetylnadolol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diacetylnadolol?
Yes, KEHONG BIO provides custom synthesis services for Diacetylnadolol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.