Theodrenaline hydrochloride
TL;DR: Theodrenaline hydrochloride (CAS 2572-61-4) is a chemical compound with molecular formula C17H22ClN5O5 and molecular weight 411.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
Also Known As: Theodrenaline hydrochloride, Theodrenaline (hydrochloride), EINECS 219-920-0, noradrenaline theophylline, hydrochloride, THEODRENALINE HYDROCHLORIDE [WHO-DD]
| Molecular Formula | C17H22ClN5O5 |
|---|---|
| Molecular Weight | 411.13 g/mol |
| LogP | -0.4101 |
| Topological Polar Surface Area | 134.54 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.13095 |
| Heavy Atoms | 28 |
| Complexity | 1103.7368 |
Chemical Identifiers
| CAS Number | 2572-61-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3)O)O)O.Cl |
Product Overview
Theodrenaline hydrochloride (CAS 2572-61-4), with molecular formula C17H22ClN5O5 and molecular weight 411.13 g/mol. IUPAC: 7-[2-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride.
Chemical Property Profile of Theodrenaline hydrochloride
Property Insights of Theodrenaline hydrochloride
The XLogP value of -0.4101 indicates that Theodrenaline hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 134.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Theodrenaline hydrochloride. Following Lipinski's Rule of Five, Theodrenaline hydrochloride has 4 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 Theodrenaline hydrochloride?
The CAS number of Theodrenaline hydrochloride is 2572-61-4.
What is the molecular formula of Theodrenaline hydrochloride?
The molecular formula of Theodrenaline hydrochloride is C17H22ClN5O5.
What is the molecular weight of Theodrenaline hydrochloride?
The molecular weight of Theodrenaline hydrochloride is 411.13 g/mol.
Where can I buy Theodrenaline hydrochloride?
You can request a quote for Theodrenaline hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Theodrenaline hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Theodrenaline hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.