AB00668418-01
TL;DR: AB00668418-01 (CAS 533875-27-3) is a chemical compound with molecular formula C25H22BrFN2O2 and molecular weight 480.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-bromo-5-(4-fluorophenyl)-4-(2-phenylbutanoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Also Known As: AB00668418-01, F0560-0311, 7-bromo-5-(4-fluorophenyl)-4-(2-phenylbutanoyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one, 7-bromo-5-(4-fluorophenyl)-4-(2-phenylbutanoyl)-4,5-dihydro-1H-benzo[e][1,4]diazepin-2(3H)-one, 7-bromo-5-(4-fluorophenyl)-4-(2-phenylbutanoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
| Molecular Formula | C25H22BrFN2O2 |
|---|---|
| Molecular Weight | 480.08 g/mol |
| LogP | 5.6521 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 480.08487 |
| Heavy Atoms | 31 |
| Complexity | 1102.2646 |
Chemical Identifiers
| CAS Number | 533875-27-3 |
|---|---|
| SMILES | CCC(C1=CC=CC=C1)C(=O)N2CC(=O)NC3=C(C2C4=CC=C(C=C4)F)C=C(C=C3)Br |
Product Overview
AB00668418-01 (CAS 533875-27-3), with molecular formula C25H22BrFN2O2 and molecular weight 480.08 g/mol. IUPAC: 7-bromo-5-(4-fluorophenyl)-4-(2-phenylbutanoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
Chemical Property Profile of AB00668418-01
Property Insights of AB00668418-01
The XLogP value of 5.6521 indicates that AB00668418-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, AB00668418-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00668418-01 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 AB00668418-01?
The CAS number of AB00668418-01 is 533875-27-3.
What is the molecular formula of AB00668418-01?
The molecular formula of AB00668418-01 is C25H22BrFN2O2.
What is the molecular weight of AB00668418-01?
The molecular weight of AB00668418-01 is 480.08 g/mol.
Where can I buy AB00668418-01?
You can request a quote for AB00668418-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668418-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668418-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.