AB00668428-01
TL;DR: AB00668428-01 (CAS 533879-07-1) is a chemical compound with molecular formula C26H24ClFN2O3 and molecular weight 466.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-butoxybenzoyl)-7-chloro-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Also Known As: AB00668428-01, F0560-0746, 4-(4-butoxybenzoyl)-7-chloro-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one, 4-(4-butoxybenzoyl)-7-chloro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one, 4-(4-butoxybenzoyl)-7-chloro-5-(4-fluorophenyl)-4,5-dihydro-1H-benzo[e][1,4]diazepin-2(3H)-one
| Molecular Formula | C26H24ClFN2O3 |
|---|---|
| Molecular Weight | 466.15 g/mol |
| LogP | 5.8419 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 466.14594 |
| Heavy Atoms | 33 |
| Complexity | 1149.2035 |
Chemical Identifiers
| CAS Number | 533879-07-1 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)N2CC(=O)NC3=C(C2C4=CC=C(C=C4)F)C=C(C=C3)Cl |
Product Overview
AB00668428-01 (CAS 533879-07-1), with molecular formula C26H24ClFN2O3 and molecular weight 466.15 g/mol. IUPAC: 4-(4-butoxybenzoyl)-7-chloro-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
Chemical Property Profile of AB00668428-01
Property Insights of AB00668428-01
The XLogP value of 5.8419 indicates that AB00668428-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, AB00668428-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00668428-01 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00668428-01?
The CAS number of AB00668428-01 is 533879-07-1.
What is the molecular formula of AB00668428-01?
The molecular formula of AB00668428-01 is C26H24ClFN2O3.
What is the molecular weight of AB00668428-01?
The molecular weight of AB00668428-01 is 466.15 g/mol.
Where can I buy AB00668428-01?
You can request a quote for AB00668428-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668428-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668428-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.