C22H18BrClN2O
TL;DR: C22H18BrClN2O (CAS 438483-64-8) is a chemical compound with molecular formula C22H18BrClN2O and molecular weight 440.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-7-bromo-5-(2-chlorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Also Known As: 3-benzyl-10-bromo-2-(2-chlorophenyl)-3,6-diazabicyclo[5.4.0]undeca-8,10,12-trien-5-one, 4-benzyl-7-bromo-5-(2-chlorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one, 4-benzyl-7-bromo-5-(2-chlorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one, 4-benzyl-7-bromo-5-(2-chlorophenyl)-4,5-dihydro-1H-benzo[e][1,4]diazepin-2(3H)-one, 4-benzyl-7-bromo-5-(2-chlorophenyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-ol
| Molecular Formula | C22H18BrClN2O |
|---|---|
| Molecular Weight | 440.03 g/mol |
| LogP | 5.6462 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 440.0291 |
| Heavy Atoms | 27 |
| Complexity | 977.05664 |
Chemical Identifiers
| CAS Number | 438483-64-8 |
|---|---|
| SMILES | C1C(=O)NC2=C(C=C(C=C2)Br)C(N1CC3=CC=CC=C3)C4=CC=CC=C4Cl |
Product Overview
C22H18BrClN2O (CAS 438483-64-8), with molecular formula C22H18BrClN2O and molecular weight 440.03 g/mol. IUPAC: 4-benzyl-7-bromo-5-(2-chlorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
Chemical Property Profile of C22H18BrClN2O
Property Insights of C22H18BrClN2O
The XLogP value of 5.6462 indicates that C22H18BrClN2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.34 Ų, C22H18BrClN2O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C22H18BrClN2O has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C22H18BrClN2O?
The CAS number of C22H18BrClN2O is 438483-64-8.
What is the molecular formula of C22H18BrClN2O?
The molecular formula of C22H18BrClN2O is C22H18BrClN2O.
What is the molecular weight of C22H18BrClN2O?
The molecular weight of C22H18BrClN2O is 440.03 g/mol.
Where can I buy C22H18BrClN2O?
You can request a quote for C22H18BrClN2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H18BrClN2O?
Yes, KEHONG BIO provides custom synthesis services for C22H18BrClN2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.