Urea, N-butyl-N(sup 1)-(6-chloro-5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-
TL;DR: Urea, N-butyl-N(sup 1)-(6-chloro-5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)- (CAS 74858-76-7) is a chemical compound with molecular formula C21H22ClFN4O2 and molecular weight 416.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3-[6-chloro-5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]urea
Also Known As: Urea, N-butyl-N(sup 1)-(6-chloro-5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-, 1-butyl-3-[6-chloro-5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]urea, N-Butyl-N'-[6-chloro-5-(2-fluorophenyl)-1-methyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-7-yl]urea, RefChem:388121
| Molecular Formula | C21H22ClFN4O2 |
|---|---|
| Molecular Weight | 416.14 g/mol |
| LogP | 4.2145 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.14154 |
| Heavy Atoms | 29 |
| Complexity | 977.1486 |
Chemical Identifiers
| CAS Number | 74858-76-7 |
|---|---|
| SMILES | CCCCNC(=O)NC1=C(C2=C(C=C1)N(C(=O)CN=C2C3=CC=CC=C3F)C)Cl |
Product Overview
Urea, N-butyl-N(sup 1)-(6-chloro-5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)- (CAS 74858-76-7), with molecular formula C21H22ClFN4O2 and molecular weight 416.14 g/mol. IUPAC: 1-butyl-3-[6-chloro-5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]urea.
Chemical Property Profile of Urea, N-butyl-N(sup 1)-(6-chloro-5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-
Property Insights of Urea, N-butyl-N(sup 1)-(6-chloro-5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-
The XLogP value of 4.2145 indicates that Urea, N-butyl-N(sup 1)-(6-chloro-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-butyl-N(sup 1)-(6-chloro-5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-. Following Lipinski's Rule of Five, Urea, N-butyl-N(sup 1)-(6-chloro-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-butyl-N(sup 1)-(6-chloro-5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-?
The CAS number of Urea, N-butyl-N(sup 1)-(6-chloro-5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)- is 74858-76-7.
What is the molecular formula of Urea, N-butyl-N(sup 1)-(6-chloro-5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-?
The molecular formula of Urea, N-butyl-N(sup 1)-(6-chloro-5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)- is C21H22ClFN4O2.
What is the molecular weight of Urea, N-butyl-N(sup 1)-(6-chloro-5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-?
The molecular weight of Urea, N-butyl-N(sup 1)-(6-chloro-5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)- is 416.14 g/mol.
Where can I buy Urea, N-butyl-N(sup 1)-(6-chloro-5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-?
You can request a quote for Urea, N-butyl-N(sup 1)-(6-chloro-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-butyl-N(sup 1)-(6-chloro-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-butyl-N(sup 1)-(6-chloro-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.