Tobuterol
TL;DR: Tobuterol (CAS 75626-99-2) is a chemical compound with molecular formula C28H31NO5 and molecular weight 461.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
Also Known As: Tobuterol, Tobuterol [INN], [3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate, (+-)-5-(2-(tert-Butylamino)-1-hydroxyethyl)-3-phenylen di-4-toluat, [3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(4-methylbenzoyl)o
| Molecular Formula | C28H31NO5 |
|---|---|
| Molecular Weight | 461.22 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 461.2202 |
| Heavy Atoms | 34 |
| Complexity | 614.0 |
Chemical Identifiers
| CAS Number | 75626-99-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=CC(=CC(=C2)C(CNC(C)(C)C)O)OC(=O)C3=CC=C(C=C3)C |
| InChIKey | GYJSIOWQEUTITA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tobuterol (CAS 75626-99-2), with molecular formula C28H31NO5 and molecular weight 461.22 g/mol. IUPAC: [3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate.
Chemical Property Profile of Tobuterol
Property Insights of Tobuterol
The XLogP value of 5.2 indicates that Tobuterol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Tobuterol. Following Lipinski's Rule of Five, Tobuterol has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tobuterol?
The CAS number of Tobuterol is 75626-99-2.
What is the molecular formula of Tobuterol?
The molecular formula of Tobuterol is C28H31NO5.
What is the molecular weight of Tobuterol?
The molecular weight of Tobuterol is 461.22 g/mol.
Where can I buy Tobuterol?
You can request a quote for Tobuterol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tobuterol?
Yes, KEHONG BIO provides custom synthesis services for Tobuterol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.