Urea, N-(6-bromo-5-(2-fluorophenyl)-2,3-dihydro-1,3-dimethyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N(sup 1)-(2-hydroxyethyl)-, (+-)-
TL;DR: Urea, N-(6-bromo-5-(2-fluorophenyl)-2,3-dihydro-1,3-dimethyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N(sup 1)-(2-hydroxyethyl)-, (+-)- (CAS 74859-41-9) is a chemical compound with molecular formula C20H20BrFN4O3 and molecular weight 462.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-bromo-5-(2-fluorophenyl)-1,3-dimethyl-2-oxo-3H-1,4-benzodiazepin-7-yl]-3-(2-hydroxyethyl)urea
Also Known As: Urea, N-(6-bromo-5-(2-fluorophenyl)-2,3-dihydro-1,3-dimethyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N(sup 1)-(2-hydroxyethyl)-, (+-)-, 1-[6-bromo-5-(2-fluorophenyl)-1,3-dimethyl-2-oxo-3H-1,4-benzodiazepin-7-yl]-3-(2-hydroxyethyl)urea, N-[6-Bromo-5-(2-fluorophenyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-7-yl]-N'-(2-hydroxyethyl)carbamimidic acid, RefChem:388077
| Molecular Formula | C20H20BrFN4O3 |
|---|---|
| Molecular Weight | 462.07 g/mol |
| LogP | 2.9043 |
| Topological Polar Surface Area | 94.03 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 462.07028 |
| Heavy Atoms | 29 |
| Complexity | 995.68677 |
Chemical Identifiers
| CAS Number | 74859-41-9 |
|---|---|
| SMILES | CC1C(=O)N(C2=C(C(=C(C=C2)NC(=O)NCCO)Br)C(=N1)C3=CC=CC=C3F)C |
Product Overview
Urea, N-(6-bromo-5-(2-fluorophenyl)-2,3-dihydro-1,3-dimethyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N(sup 1)-(2-hydroxyethyl)-, (+-)- (CAS 74859-41-9), with molecular formula C20H20BrFN4O3 and molecular weight 462.07 g/mol. IUPAC: 1-[6-bromo-5-(2-fluorophenyl)-1,3-dimethyl-2-oxo-3H-1,4-benzodiazepin-7-yl]-3-(2-hydroxyethyl)urea.
Chemical Property Profile of Urea, N-(6-bromo-5-(2-fluorophenyl)-2,3-dihydro-1,3-dimethyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N(sup 1)-(2-hydroxyethyl)-, (+-)-
Property Insights of Urea, N-(6-bromo-5-(2-fluorophenyl)-2,3-dihydro-1,3-dimethyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N(sup 1)-(2-hydroxyethyl)-, (+-)-
The XLogP value of 2.9043 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, N-(6-bromo-5-(2-fluorophenyl)-2,3-dihydro-1,3-dimethyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N(sup 1)-(2-hydroxyethyl)-, (+-)-. The TPSA of 94.03 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, N-(6-bromo-5-(2-fluorophenyl)-2,3-dihydro-1,3-dimethyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N(sup 1)-(2-hydroxyethyl)-, (+-)-. Following Lipinski's Rule of Five, Urea, N-(6-bromo-5-(2-fluorophenyl)-2,3-dihydro-1,3-dimethyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N(sup 1)-(2-hydroxyethyl)-, (+-)- has 3 hydrogen bond donor(s) and 4 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-(6-bromo-5-(2-fluorophenyl)-2,3-dihydro-1,3-dimethyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N(sup 1)-(2-hydroxyethyl)-, (+-)-?
The CAS number of Urea, N-(6-bromo-5-(2-fluorophenyl)-2,3-dihydro-1,3-dimethyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N(sup 1)-(2-hydroxyethyl)-, (+-)- is 74859-41-9.
What is the molecular formula of Urea, N-(6-bromo-5-(2-fluorophenyl)-2,3-dihydro-1,3-dimethyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N(sup 1)-(2-hydroxyethyl)-, (+-)-?
The molecular formula of Urea, N-(6-bromo-5-(2-fluorophenyl)-2,3-dihydro-1,3-dimethyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N(sup 1)-(2-hydroxyethyl)-, (+-)- is C20H20BrFN4O3.
What is the molecular weight of Urea, N-(6-bromo-5-(2-fluorophenyl)-2,3-dihydro-1,3-dimethyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N(sup 1)-(2-hydroxyethyl)-, (+-)-?
The molecular weight of Urea, N-(6-bromo-5-(2-fluorophenyl)-2,3-dihydro-1,3-dimethyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N(sup 1)-(2-hydroxyethyl)-, (+-)- is 462.07 g/mol.
Where can I buy Urea, N-(6-bromo-5-(2-fluorophenyl)-2,3-dihydro-1,3-dimethyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N(sup 1)-(2-hydroxyethyl)-, (+-)-?
You can request a quote for Urea, N-(6-bromo-5-(2-fluorophenyl)-2,3-dihydro-1,3-dimethyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N(sup 1)-(2-hydroxyethyl)-, (+-)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, N-(6-bromo-5-(2-fluorophenyl)-2,3-dihydro-1,3-dimethyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N(sup 1)-(2-hydroxyethyl)-, (+-)-?
Yes, KEHONG BIO provides custom synthesis services for Urea, N-(6-bromo-5-(2-fluorophenyl)-2,3-dihydro-1,3-dimethyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N(sup 1)-(2-hydroxyethyl)-, (+-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.