Desethylbemitradine
TL;DR: Desethylbemitradine (CAS 95186-19-9) is a chemical compound with molecular formula C13H13N5O and molecular weight 255.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-amino-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl)ethanol
Also Known As: Desethylbemitradine, 2-(5-amino-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl)ethanol, 2-(5-Amino-7-phenyl[1,2,4]triazolo[1,5-c]pyrimidin-8-yl)ethan-1-ol, 2-{5-amino-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl}ethan-1-ol, 8-(2-hydroxyethyl)-7-phenyl 1,2,4-triazolo[2,3-c]pyrimidine-5-amine
| Molecular Formula | C13H13N5O |
|---|---|
| Molecular Weight | 255.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 89.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.11201 |
| Heavy Atoms | 19 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 95186-19-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C3=NC=NN3C(=N2)N)CCO |
| InChIKey | JOCHIKNGJVVXBL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Desethylbemitradine (CAS 95186-19-9), with molecular formula C13H13N5O and molecular weight 255.11 g/mol. IUPAC: 2-(5-amino-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl)ethanol.
Chemical Property Profile of Desethylbemitradine
Property Insights of Desethylbemitradine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Desethylbemitradine. The TPSA of 89.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Desethylbemitradine. Following Lipinski's Rule of Five, Desethylbemitradine has 2 hydrogen bond donor(s) and 5 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 Desethylbemitradine?
The CAS number of Desethylbemitradine is 95186-19-9.
What is the molecular formula of Desethylbemitradine?
The molecular formula of Desethylbemitradine is C13H13N5O.
What is the molecular weight of Desethylbemitradine?
The molecular weight of Desethylbemitradine is 255.11 g/mol.
Where can I buy Desethylbemitradine?
You can request a quote for Desethylbemitradine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desethylbemitradine?
Yes, KEHONG BIO provides custom synthesis services for Desethylbemitradine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.