比托特罗
TL;DR: 比托特罗 (CAS 30392-40-6) 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.
比托特罗
[4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
Also Known As: Bitolterol, Bitolterolum, Tornalate, bitolterolo, Bitolterol mesilate
| 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 | 658.0 |
Chemical Identifiers
| CAS Number | 30392-40-6 |
|---|---|
| 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 |
| InChIKey | FZGVEKPRDOIXJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
比托特罗 (CAS 30392-40-6), with molecular formula C28H31NO5 and molecular weight 461.22 g/mol. IUPAC: [4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate.
Chemical Property Profile of 比托特罗
Property Insights of 比托特罗
The XLogP value of 5.2 indicates that 比托特罗 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 比托特罗. Following Lipinski's Rule of Five, 比托特罗 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 比托特罗?
The CAS number of 比托特罗 is 30392-40-6.
What is the molecular formula of 比托特罗?
The molecular formula of 比托特罗 is C28H31NO5.
What is the molecular weight of 比托特罗?
The molecular weight of 比托特罗 is 461.22 g/mol.
Where can I buy 比托特罗?
You can request a quote for 比托特罗 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 比托特罗?
Yes, KEHONG BIO provides custom synthesis services for 比托特罗 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.