硫唑胺盐酸盐
TL;DR: 硫唑胺盐酸盐 (CAS 63-56-9) is a chemical compound with molecular formula C16H23ClN4O and molecular weight 322.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫唑胺盐酸盐
N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyrimidin-2-ylethane-1,2-diamine;hydrochloride
Also Known As: THONZYLAMINE HYDROCHLORIDE, Thonzylamine HCl, Anahist, Novohetramin, Resistab
| Molecular Formula | C16H23ClN4O |
|---|---|
| Molecular Weight | 322.16 g/mol |
| LogP | 2.48 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 322.15604 |
| Heavy Atoms | 22 |
| Complexity | 273.0 |
| Melting Point | 343 to 176.1 °C |
| Solubility | Very soluble (NTP, 1992) |
Chemical Identifiers
| CAS Number | 63-56-9 |
|---|---|
| SMILES | CN(C)CCN(CC1=CC=C(C=C1)OC)C2=NC=CC=N2.Cl |
| InChIKey | HRYJPHOTGFERGT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硫唑胺盐酸盐 (CAS 63-56-9), with molecular formula C16H23ClN4O and molecular weight 322.16 g/mol. IUPAC: N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyrimidin-2-ylethane-1,2-diamine;hydrochloride.
Chemical Property Profile of 硫唑胺盐酸盐
Property Insights of 硫唑胺盐酸盐
The XLogP value of 2.48 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硫唑胺盐酸盐. With a topological polar surface area (TPSA) of 41.5 Ų, 硫唑胺盐酸盐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硫唑胺盐酸盐 has 1 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 硫唑胺盐酸盐?
The CAS number of 硫唑胺盐酸盐 is 63-56-9.
What is the molecular formula of 硫唑胺盐酸盐?
The molecular formula of 硫唑胺盐酸盐 is C16H23ClN4O.
What is the molecular weight of 硫唑胺盐酸盐?
The molecular weight of 硫唑胺盐酸盐 is 322.16 g/mol.
Where can I buy 硫唑胺盐酸盐?
You can request a quote for 硫唑胺盐酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫唑胺盐酸盐?
Yes, KEHONG BIO provides custom synthesis services for 硫唑胺盐酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.