Theodrenaline
TL;DR: Theodrenaline (CAS 13460-98-5) is a chemical compound with molecular formula C17H21N5O5 and molecular weight 375.15 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
Also Known As: Theodrenaline, Teodrenalina, Theodrenalina, Theodrenalinum, noradrenaline
| Molecular Formula | C17H21N5O5 |
|---|---|
| Molecular Weight | 375.15 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.15427 |
| Heavy Atoms | 27 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 13460-98-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3)O)O)O |
| InChIKey | WMCMJIGLYZDKRN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Theodrenaline (CAS 13460-98-5), with molecular formula C17H21N5O5 and molecular weight 375.15 g/mol. IUPAC: 7-[2-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of Theodrenaline
Property Insights of Theodrenaline
The XLogP value of -0.8 indicates that Theodrenaline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Theodrenaline. Following Lipinski's Rule of Five, Theodrenaline 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?
The CAS number of Theodrenaline is 13460-98-5.
What is the molecular formula of Theodrenaline?
The molecular formula of Theodrenaline is C17H21N5O5.
What is the molecular weight of Theodrenaline?
The molecular weight of Theodrenaline is 375.15 g/mol.
Where can I buy Theodrenaline?
You can request a quote for Theodrenaline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Theodrenaline?
Yes, KEHONG BIO provides custom synthesis services for Theodrenaline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.