Divabuterol
TL;DR: Divabuterol (CAS 6318-39-4) is a chemical compound with molecular formula C22H35NO5 and molecular weight 393.25 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-(2,2-dimethylpropanoyloxy)phenyl] 2,2-dimethylpropanoate
Also Known As: Divabuterol, Divabuterol [INN], divabuterolum, 4-Chloro-2-iodotoluene, [3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(2,2-dimethylpropanoyloxy)phenyl] 2,2-dimethylpropanoate
| Molecular Formula | C22H35NO5 |
|---|---|
| Molecular Weight | 393.25 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 393.25153 |
| Heavy Atoms | 28 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 6318-39-4 |
|---|---|
| SMILES | CC(C)(C)C(=O)OC1=CC(=CC(=C1)C(CNC(C)(C)C)O)OC(=O)C(C)(C)C |
| InChIKey | VJJOKWOJJZKXNV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Divabuterol (CAS 6318-39-4), with molecular formula C22H35NO5 and molecular weight 393.25 g/mol. IUPAC: [3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(2,2-dimethylpropanoyloxy)phenyl] 2,2-dimethylpropanoate.
Chemical Property Profile of Divabuterol
Property Insights of Divabuterol
The XLogP value of 3.9 indicates that Divabuterol 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 Divabuterol. Following Lipinski's Rule of Five, Divabuterol has 2 hydrogen bond donor(s) and 6 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 Divabuterol?
The CAS number of Divabuterol is 6318-39-4.
What is the molecular formula of Divabuterol?
The molecular formula of Divabuterol is C22H35NO5.
What is the molecular weight of Divabuterol?
The molecular weight of Divabuterol is 393.25 g/mol.
Where can I buy Divabuterol?
You can request a quote for Divabuterol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Divabuterol?
Yes, KEHONG BIO provides custom synthesis services for Divabuterol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.