RefChem:388076
TL;DR: RefChem:388076 (CAS 74859-37-3) is a chemical compound with molecular formula C20H20BrClN4O3 and molecular weight 478.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-bromo-5-(2-chlorophenyl)-1,3-dimethyl-2-oxo-3H-1,4-benzodiazepin-7-yl]-3-(2-hydroxyethyl)urea
Also Known As: Urea, N-(6-bromo-5-(2-chlorophenyl)-2,3-dihydro-1,3-dimethyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N(sup 1)-(2-hydroxyethyl)-, (+-)-, 1-[6-bromo-5-(2-chlorophenyl)-1,3-dimethyl-2-oxo-3H-1,4-benzodiazepin-7-yl]-3-(2-hydroxyethyl)urea, N-[6-Bromo-5-(2-chlorophenyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-7-yl]-N'-(2-hydroxyethyl)carbamimidic acid, RefChem:388076
| Molecular Formula | C20H20BrClN4O3 |
|---|---|
| Molecular Weight | 478.04 g/mol |
| LogP | 3.4186 |
| Topological Polar Surface Area | 94.03 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 478.04074 |
| Heavy Atoms | 29 |
| Complexity | 995.68677 |
Chemical Identifiers
| CAS Number | 74859-37-3 |
|---|---|
| SMILES | CC1C(=O)N(C2=C(C(=C(C=C2)NC(=O)NCCO)Br)C(=N1)C3=CC=CC=C3Cl)C |
Product Overview
RefChem:388076 (CAS 74859-37-3), with molecular formula C20H20BrClN4O3 and molecular weight 478.04 g/mol. IUPAC: 1-[6-bromo-5-(2-chlorophenyl)-1,3-dimethyl-2-oxo-3H-1,4-benzodiazepin-7-yl]-3-(2-hydroxyethyl)urea.
Chemical Property Profile of RefChem:388076
Property Insights of RefChem:388076
The XLogP value of 3.4186 indicates that RefChem:388076 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.03 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:388076. Following Lipinski's Rule of Five, RefChem:388076 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 RefChem:388076?
The CAS number of RefChem:388076 is 74859-37-3.
What is the molecular formula of RefChem:388076?
The molecular formula of RefChem:388076 is C20H20BrClN4O3.
What is the molecular weight of RefChem:388076?
The molecular weight of RefChem:388076 is 478.04 g/mol.
Where can I buy RefChem:388076?
You can request a quote for RefChem:388076 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:388076?
Yes, KEHONG BIO provides custom synthesis services for RefChem:388076 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.