Lodazecar
TL;DR: Lodazecar (CAS 87646-83-1) is a chemical compound with molecular formula C22H24BrClN4O4 and molecular weight 522.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3S)-6-bromo-5-(2-chlorophenyl)-1,3-dimethyl-2-oxo-3H-1,4-benzodiazepin-7-yl]-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea
Also Known As: Lodazecar, Lodazecarum, Lodazecar [INN], Lodazecarum [Latin], Lodazecarum (Latin)
| Molecular Formula | C22H24BrClN4O4 |
|---|---|
| Molecular Weight | 522.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 522.06696 |
| Heavy Atoms | 32 |
| Complexity | 735.0 |
Chemical Identifiers
| CAS Number | 87646-83-1 |
|---|---|
| SMILES | C[C@H]1C(=O)N(C2=C(C(=C(C=C2)NC(=O)NC(C)(CO)CO)Br)C(=N1)C3=CC=CC=C3Cl)C |
| InChIKey | DEYVHVVHCGGWLZ-LBPRGKRZSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Lodazecar (CAS 87646-83-1), with molecular formula C22H24BrClN4O4 and molecular weight 522.07 g/mol. IUPAC: 1-[(3S)-6-bromo-5-(2-chlorophenyl)-1,3-dimethyl-2-oxo-3H-1,4-benzodiazepin-7-yl]-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea.
Chemical Property Profile of Lodazecar
Property Insights of Lodazecar
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Lodazecar. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Lodazecar. Following Lipinski's Rule of Five, Lodazecar has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Lodazecar?
The CAS number of Lodazecar is 87646-83-1.
What is the molecular formula of Lodazecar?
The molecular formula of Lodazecar is C22H24BrClN4O4.
What is the molecular weight of Lodazecar?
The molecular weight of Lodazecar is 522.07 g/mol.
Where can I buy Lodazecar?
You can request a quote for Lodazecar directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lodazecar?
Yes, KEHONG BIO provides custom synthesis services for Lodazecar and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.