Bitolterol Mesylate
TL;DR: Bitolterol Mesylate (CAS 30392-41-7) is a chemical compound with molecular formula C29H35NO8S and molecular weight 557.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;methanesulfonic acid
Also Known As: BITOLTEROL MESYLATE, Tornalate, Bitolterol mesilate, Bitolterol mesilat, Effectin
| Molecular Formula | C29H35NO8S |
|---|---|
| Molecular Weight | 557.21 g/mol |
| LogP | 4.67 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 557.2083 |
| Heavy Atoms | 39 |
| Complexity | 751.0 |
Chemical Identifiers
| CAS Number | 30392-41-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(CNC(C)(C)C)O)OC(=O)C3=CC=C(C=C3)C.CS(=O)(=O)O |
| InChIKey | HODFCFXCOMKRCG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bitolterol Mesylate (CAS 30392-41-7), with molecular formula C29H35NO8S and molecular weight 557.21 g/mol. IUPAC: [4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;methanesulfonic acid.
Chemical Property Profile of Bitolterol Mesylate
Property Insights of Bitolterol Mesylate
The XLogP value of 4.67 indicates that Bitolterol Mesylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.0 Ų indicates high polarity, suggesting Bitolterol Mesylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bitolterol Mesylate has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bitolterol Mesylate?
The CAS number of Bitolterol Mesylate is 30392-41-7.
What is the molecular formula of Bitolterol Mesylate?
The molecular formula of Bitolterol Mesylate is C29H35NO8S.
What is the molecular weight of Bitolterol Mesylate?
The molecular weight of Bitolterol Mesylate is 557.21 g/mol.
Where can I buy Bitolterol Mesylate?
You can request a quote for Bitolterol Mesylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bitolterol Mesylate?
Yes, KEHONG BIO provides custom synthesis services for Bitolterol Mesylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.