尼扎替丁
TL;DR: 尼扎替丁 (CAS 76963-41-2) is a chemical compound with molecular formula C12H21N5O2S2 and molecular weight 331.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
尼扎替丁
1-N'-[2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine
Also Known As: nizatidine, Acinon, Axid, Nizatidina, Nizatidine-d3
| Molecular Formula | C12H21N5O2S2 |
|---|---|
| Molecular Weight | 331.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 331.11368 |
| Heavy Atoms | 21 |
| Complexity | 349.0 |
| Melting Point | 130-132 °C |
| Solubility | 10-33mg/mL |
Chemical Identifiers
| CAS Number | 76963-41-2 |
|---|---|
| SMILES | CNC(=C[N+](=O)[O-])NCCSCC1=CSC(=N1)CN(C)C |
| InChIKey | SGXXNSQHWDMGGP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
尼扎替丁 (CAS 76963-41-2), with molecular formula C12H21N5O2S2 and molecular weight 331.11 g/mol. IUPAC: 1-N'-[2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine.
Chemical Property Profile of 尼扎替丁
Property Insights of 尼扎替丁
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 尼扎替丁. The TPSA of 140.0 Ų indicates high polarity, suggesting 尼扎替丁 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 尼扎替丁 has 2 hydrogen bond donor(s) and 8 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 尼扎替丁?
The CAS number of 尼扎替丁 is 76963-41-2.
What is the molecular formula of 尼扎替丁?
The molecular formula of 尼扎替丁 is C12H21N5O2S2.
What is the molecular weight of 尼扎替丁?
The molecular weight of 尼扎替丁 is 331.11 g/mol.
Where can I buy 尼扎替丁?
You can request a quote for 尼扎替丁 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 尼扎替丁?
Yes, KEHONG BIO provides custom synthesis services for 尼扎替丁 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.