替扎尼定
TL;DR: 替扎尼定 (CAS 51322-75-9) is a chemical compound with molecular formula C9H8ClN5S and molecular weight 253.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
替扎尼定
5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine
Also Known As: tizanidine, Sirdalud, Tizanidina, Ternelin, Tizanidinum
| Molecular Formula | C9H8ClN5S |
|---|---|
| Molecular Weight | 253.02 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 90.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.01889 |
| Heavy Atoms | 16 |
| Complexity | 300.0 |
| Melting Point | 280 |
| Boiling Point | 391.2 |
| Solubility | slightly soluble |
Chemical Identifiers
| CAS Number | 51322-75-9 |
|---|---|
| SMILES | C1CN=C(N1)NC2=C(C=CC3=NSN=C32)Cl |
| InChIKey | XFYDIVBRZNQMJC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
替扎尼定 (CAS 51322-75-9), with molecular formula C9H8ClN5S and molecular weight 253.02 g/mol. IUPAC: 5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine.
Chemical Property Profile of 替扎尼定
Property Insights of 替扎尼定
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 替扎尼定. The TPSA of 90.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 替扎尼定. Following Lipinski's Rule of Five, 替扎尼定 has 2 hydrogen bond donor(s) and 4 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 替扎尼定?
The CAS number of 替扎尼定 is 51322-75-9.
What is the molecular formula of 替扎尼定?
The molecular formula of 替扎尼定 is C9H8ClN5S.
What is the molecular weight of 替扎尼定?
The molecular weight of 替扎尼定 is 253.02 g/mol.
Where can I buy 替扎尼定?
You can request a quote for 替扎尼定 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 替扎尼定?
Yes, KEHONG BIO provides custom synthesis services for 替扎尼定 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.