Urea, N-(1,1-dimethylethyl)-N(sup 1)-(5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-
TL;DR: Urea, N-(1,1-dimethylethyl)-N(sup 1)-(5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)- (CAS 74872-43-8) is a chemical compound with molecular formula C21H23FN4O2 and molecular weight 382.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-3-[5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]urea
Also Known As: Urea, N-(1,1-dimethylethyl)-N(sup 1)-(5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-, 1-tert-Butyl-3-(5-(o-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)urea, 1-tert-butyl-3-[5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]urea, 1-tert.butyl-3-[5-(o-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl]urea, N-tert-Butyl-N'-[5-(2-fluorophenyl)-1-methyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-7-yl]urea
| Molecular Formula | C21H23FN4O2 |
|---|---|
| Molecular Weight | 382.18 g/mol |
| LogP | 3.5595 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 382.1805 |
| Heavy Atoms | 28 |
| Complexity | 963.1182 |
Chemical Identifiers
| CAS Number | 74872-43-8 |
|---|---|
| SMILES | CC(C)(C)NC(=O)NC1=CC2=C(C=C1)N(C(=O)CN=C2C3=CC=CC=C3F)C |
Product Overview
Urea, N-(1,1-dimethylethyl)-N(sup 1)-(5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)- (CAS 74872-43-8), with molecular formula C21H23FN4O2 and molecular weight 382.18 g/mol. IUPAC: 1-tert-butyl-3-[5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]urea.
Chemical Property Profile of Urea, N-(1,1-dimethylethyl)-N(sup 1)-(5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-
Property Insights of Urea, N-(1,1-dimethylethyl)-N(sup 1)-(5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-
The XLogP value of 3.5595 indicates that Urea, N-(1,1-dimethylethyl)-N(sup 1)-(5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, N-(1,1-dimethylethyl)-N(sup 1)-(5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-. Following Lipinski's Rule of Five, Urea, N-(1,1-dimethylethyl)-N(sup 1)-(5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)- has 2 hydrogen bond donor(s) and 3 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 Urea, N-(1,1-dimethylethyl)-N(sup 1)-(5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-?
The CAS number of Urea, N-(1,1-dimethylethyl)-N(sup 1)-(5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)- is 74872-43-8.
What is the molecular formula of Urea, N-(1,1-dimethylethyl)-N(sup 1)-(5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-?
The molecular formula of Urea, N-(1,1-dimethylethyl)-N(sup 1)-(5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)- is C21H23FN4O2.
What is the molecular weight of Urea, N-(1,1-dimethylethyl)-N(sup 1)-(5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-?
The molecular weight of Urea, N-(1,1-dimethylethyl)-N(sup 1)-(5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)- is 382.18 g/mol.
Where can I buy Urea, N-(1,1-dimethylethyl)-N(sup 1)-(5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-?
You can request a quote for Urea, N-(1,1-dimethylethyl)-N(sup 1)-(5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, N-(1,1-dimethylethyl)-N(sup 1)-(5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Urea, N-(1,1-dimethylethyl)-N(sup 1)-(5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.