Urea, N(sup 1)-(6-chloro-5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N-ethyl-N-methyl-
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-ethyl-N-methyl- (CAS 74858-78-9) is a chemical compound with molecular formula C20H20ClFN4O2 and molecular weight 402.13 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-ethyl-1-methylurea
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-ethyl-N-methyl-, 3-[6-chloro-5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]-1-ethyl-1-methylurea, N'-[6-Chloro-5-(2-fluorophenyl)-1-methyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-7-yl]-N-ethyl-N-methylurea, RefChem:387715
| Molecular Formula | C20H20ClFN4O2 |
|---|---|
| Molecular Weight | 402.13 g/mol |
| LogP | 3.7765 |
| Topological Polar Surface Area | 65.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.1259 |
| Heavy Atoms | 28 |
| Complexity | 976.6732 |
Chemical Identifiers
| CAS Number | 74858-78-9 |
|---|---|
| SMILES | CCN(C)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-ethyl-N-methyl- (CAS 74858-78-9), with molecular formula C20H20ClFN4O2 and molecular weight 402.13 g/mol. IUPAC: 3-[6-chloro-5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]-1-ethyl-1-methylurea.
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-ethyl-N-methyl-
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-ethyl-N-methyl-
The XLogP value of 3.7765 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-ethyl-N-methyl- 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-ethyl-N-methyl-. 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-ethyl-N-methyl- 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-ethyl-N-methyl-?
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-ethyl-N-methyl- is 74858-78-9.
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-ethyl-N-methyl-?
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-ethyl-N-methyl- is C20H20ClFN4O2.
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-ethyl-N-methyl-?
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-ethyl-N-methyl- is 402.13 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-ethyl-N-methyl-?
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-ethyl-N-methyl- 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-ethyl-N-methyl-?
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-ethyl-N-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.