Nisbuterol
TL;DR: Nisbuterol (CAS 60734-87-4) is a chemical compound with molecular formula C22H27NO6 and molecular weight 401.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-acetyloxy-4-[2-(tert-butylamino)-1-hydroxyethyl]phenyl] 4-methoxybenzoate
Also Known As: Nisbuterol [INN], nisbuterolum, Nisbuterol [WHO-DD], Nisbuterol [INN:WHO-DD], [2-acetyloxy-4-[2-(tert-butylamino)-1-hydroxyethyl]phenyl] 4-methoxybenzoate
| Molecular Formula | C22H27NO6 |
|---|---|
| Molecular Weight | 401.18 g/mol |
| LogP | 3.2612 |
| Topological Polar Surface Area | 94.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.18384 |
| Heavy Atoms | 29 |
| Complexity | 854.5965 |
Chemical Identifiers
| CAS Number | 60734-87-4 |
|---|---|
| SMILES | CC(=O)OC1=C(C=CC(=C1)C(CNC(C)(C)C)O)OC(=O)C2=CC=C(C=C2)OC |
Product Overview
Nisbuterol (CAS 60734-87-4), with molecular formula C22H27NO6 and molecular weight 401.18 g/mol. IUPAC: [2-acetyloxy-4-[2-(tert-butylamino)-1-hydroxyethyl]phenyl] 4-methoxybenzoate.
Chemical Property Profile of Nisbuterol
Property Insights of Nisbuterol
The XLogP value of 3.2612 indicates that Nisbuterol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.09 Ų falls within the moderate polarity range, balancing permeability and solubility for Nisbuterol. Following Lipinski's Rule of Five, Nisbuterol 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 Nisbuterol?
The CAS number of Nisbuterol is 60734-87-4.
What is the molecular formula of Nisbuterol?
The molecular formula of Nisbuterol is C22H27NO6.
What is the molecular weight of Nisbuterol?
The molecular weight of Nisbuterol is 401.18 g/mol.
Where can I buy Nisbuterol?
You can request a quote for Nisbuterol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nisbuterol?
Yes, KEHONG BIO provides custom synthesis services for Nisbuterol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.