Thonzylamine
TL;DR: Thonzylamine (CAS 91-85-0) is a chemical compound with molecular formula C16H22N4O and molecular weight 286.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyrimidin-2-ylethane-1,2-diamine
Also Known As: thonzylamine, Neohetramine, Tonzilamine, Tonzilamina, Thonzylaminum
| Molecular Formula | C16H22N4O |
|---|---|
| Molecular Weight | 286.18 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 286.17935 |
| Heavy Atoms | 21 |
| Complexity | 273.0 |
| Melting Point | 173-176 |
| Solubility | Highly Soluble |
Chemical Identifiers
| CAS Number | 91-85-0 |
|---|---|
| SMILES | CN(C)CCN(CC1=CC=C(C=C1)OC)C2=NC=CC=N2 |
| InChIKey | GULNIHOSWFYMRN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thonzylamine (CAS 91-85-0), with molecular formula C16H22N4O and molecular weight 286.18 g/mol. IUPAC: N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyrimidin-2-ylethane-1,2-diamine.
Chemical Property Profile of Thonzylamine
Property Insights of Thonzylamine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thonzylamine. With a topological polar surface area (TPSA) of 41.5 Ų, Thonzylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thonzylamine has 0 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 Thonzylamine?
The CAS number of Thonzylamine is 91-85-0.
What is the molecular formula of Thonzylamine?
The molecular formula of Thonzylamine is C16H22N4O.
What is the molecular weight of Thonzylamine?
The molecular weight of Thonzylamine is 286.18 g/mol.
Where can I buy Thonzylamine?
You can request a quote for Thonzylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thonzylamine?
Yes, KEHONG BIO provides custom synthesis services for Thonzylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.