利马西泮
TL;DR: 利马西泮 (CAS 99593-25-6) is a chemical compound with molecular formula C21H20Cl2N6O3 and molecular weight 474.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
利马西泮
5-[[(2-aminoacetyl)amino]methyl]-1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N,N-dimethyl-1,2,4-triazole-3-carboxamide
Also Known As: Rilmazafone, Rilmazafona, Rilmazafonum, Rilmazafone [INN], Rhythmy
| Molecular Formula | C21H20Cl2N6O3 |
|---|---|
| Molecular Weight | 474.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 474.09738 |
| Heavy Atoms | 32 |
| Complexity | 696.0 |
Chemical Identifiers
| CAS Number | 99593-25-6 |
|---|---|
| SMILES | CN(C)C(=O)C1=NN(C(=N1)CNC(=O)CN)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl |
| InChIKey | KYHFRCPLIGODFH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
利马西泮 (CAS 99593-25-6), with molecular formula C21H20Cl2N6O3 and molecular weight 474.10 g/mol. IUPAC: 5-[[(2-aminoacetyl)amino]methyl]-1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-N,N-dimethyl-1,2,4-triazole-3-carboxamide.
Chemical Property Profile of 利马西泮
Property Insights of 利马西泮
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 利马西泮. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 利马西泮. Following Lipinski's Rule of Five, 利马西泮 has 2 hydrogen bond donor(s) and 6 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 利马西泮?
The CAS number of 利马西泮 is 99593-25-6.
What is the molecular formula of 利马西泮?
The molecular formula of 利马西泮 is C21H20Cl2N6O3.
What is the molecular weight of 利马西泮?
The molecular weight of 利马西泮 is 474.10 g/mol.
Where can I buy 利马西泮?
You can request a quote for 利马西泮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 利马西泮?
Yes, KEHONG BIO provides custom synthesis services for 利马西泮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.