Urea, N(sup 1)-(6-chloro-5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N,N-diethyl-
TL;DR: Urea, N(sup 1)-(6-chloro-5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N,N-diethyl- (CAS 74858-77-8) 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.
3-[6-chloro-5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]-1,1-diethylurea
Also Known As: Urea, N(sup 1)-(6-chloro-5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N,N-diethyl-, 3-[6-chloro-5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]-1,1-diethylurea, N'-[6-Chloro-5-(2-fluorophenyl)-1-methyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-7-yl]-N,N-diethylurea, RefChem:387714
| Molecular Formula | C21H22ClFN4O2 |
|---|---|
| Molecular Weight | 416.14 g/mol |
| LogP | 4.1666 |
| Topological Polar Surface Area | 65.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.14154 |
| Heavy Atoms | 29 |
| Complexity | 988.64154 |
Chemical Identifiers
| CAS Number | 74858-77-8 |
|---|---|
| SMILES | CCN(CC)C(=O)NC1=C(C2=C(C=C1)N(C(=O)CN=C2C3=CC=CC=C3F)C)Cl |
Product Overview
Urea, N(sup 1)-(6-chloro-5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N,N-diethyl- (CAS 74858-77-8), with molecular formula C21H22ClFN4O2 and molecular weight 416.14 g/mol. IUPAC: 3-[6-chloro-5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]-1,1-diethylurea.
Chemical Property Profile of Urea, N(sup 1)-(6-chloro-5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N,N-diethyl-
Property Insights of Urea, N(sup 1)-(6-chloro-5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N,N-diethyl-
The XLogP value of 4.1666 indicates that Urea, N(sup 1)-(6-chloro-5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N,N-diethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.01 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, N(sup 1)-(6-chloro-5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N,N-diethyl-. Following Lipinski's Rule of Five, Urea, N(sup 1)-(6-chloro-5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N,N-diethyl- has 1 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(sup 1)-(6-chloro-5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N,N-diethyl-?
The CAS number of Urea, N(sup 1)-(6-chloro-5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N,N-diethyl- is 74858-77-8.
What is the molecular formula of Urea, N(sup 1)-(6-chloro-5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N,N-diethyl-?
The molecular formula of Urea, N(sup 1)-(6-chloro-5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N,N-diethyl- is C21H22ClFN4O2.
What is the molecular weight of Urea, N(sup 1)-(6-chloro-5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N,N-diethyl-?
The molecular weight of Urea, N(sup 1)-(6-chloro-5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N,N-diethyl- is 416.14 g/mol.
Where can I buy Urea, N(sup 1)-(6-chloro-5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N,N-diethyl-?
You can request a quote for Urea, N(sup 1)-(6-chloro-5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N,N-diethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, N(sup 1)-(6-chloro-5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N,N-diethyl-?
Yes, KEHONG BIO provides custom synthesis services for Urea, N(sup 1)-(6-chloro-5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N,N-diethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.