AB00668419-01
TL;DR: AB00668419-01 (CAS 533876-25-4) is a chemical compound with molecular formula C22H15BrF2N2O2 and molecular weight 456.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-bromo-4-(3-fluorobenzoyl)-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Also Known As: AB00668419-01, F0560-0428, 7-bromo-4-(3-fluorobenzoyl)-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one, 7-bromo-4-(3-fluorobenzoyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-benzo[e][1,4]diazepin-2(3H)-one, 7-bromo-4-(3-fluorobenzoyl)-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
| Molecular Formula | C22H15BrF2N2O2 |
|---|---|
| Molecular Weight | 456.03 g/mol |
| LogP | 4.9112 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 456.0285 |
| Heavy Atoms | 29 |
| Complexity | 1102.2213 |
Chemical Identifiers
| CAS Number | 533876-25-4 |
|---|---|
| SMILES | C1C(=O)NC2=C(C=C(C=C2)Br)C(N1C(=O)C3=CC(=CC=C3)F)C4=CC=C(C=C4)F |
Product Overview
AB00668419-01 (CAS 533876-25-4), with molecular formula C22H15BrF2N2O2 and molecular weight 456.03 g/mol. IUPAC: 7-bromo-4-(3-fluorobenzoyl)-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
Chemical Property Profile of AB00668419-01
Property Insights of AB00668419-01
The XLogP value of 4.9112 indicates that AB00668419-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, AB00668419-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00668419-01 has 1 hydrogen bond donor(s) and 2 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 AB00668419-01?
The CAS number of AB00668419-01 is 533876-25-4.
What is the molecular formula of AB00668419-01?
The molecular formula of AB00668419-01 is C22H15BrF2N2O2.
What is the molecular weight of AB00668419-01?
The molecular weight of AB00668419-01 is 456.03 g/mol.
Where can I buy AB00668419-01?
You can request a quote for AB00668419-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668419-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668419-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.