AB00668416-01
TL;DR: AB00668416-01 (CAS 533874-87-2) is a chemical compound with molecular formula C28H26ClFN2O2 and molecular weight 476.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-(4-chlorophenyl)cyclopentanecarbonyl]-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Also Known As: AB00668416-01, F0560-0269, 4-[1-(4-chlorophenyl)cyclopentanecarbonyl]-5-(4-fluorophenyl)-7-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one, 4-(1-(4-chlorophenyl)cyclopentanecarbonyl)-5-(4-fluorophenyl)-7-methyl-4,5-dihydro-1H-benzo[e][1,4]diazepin-2(3H)-one, 4-[1-(4-chlorophenyl)cyclopentanecarbonyl]-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
| Molecular Formula | C28H26ClFN2O2 |
|---|---|
| Molecular Weight | 476.17 g/mol |
| LogP | 6.16962 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 476.1667 |
| Heavy Atoms | 34 |
| Complexity | 1234.2659 |
Chemical Identifiers
| CAS Number | 533874-87-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=C(C=C3)F)C(=O)C4(CCCC4)C5=CC=C(C=C5)Cl |
Product Overview
AB00668416-01 (CAS 533874-87-2), with molecular formula C28H26ClFN2O2 and molecular weight 476.17 g/mol. IUPAC: 4-[1-(4-chlorophenyl)cyclopentanecarbonyl]-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
Chemical Property Profile of AB00668416-01
Property Insights of AB00668416-01
The XLogP value of 6.16962 indicates that AB00668416-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, AB00668416-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00668416-01 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 AB00668416-01?
The CAS number of AB00668416-01 is 533874-87-2.
What is the molecular formula of AB00668416-01?
The molecular formula of AB00668416-01 is C28H26ClFN2O2.
What is the molecular weight of AB00668416-01?
The molecular weight of AB00668416-01 is 476.17 g/mol.
Where can I buy AB00668416-01?
You can request a quote for AB00668416-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668416-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668416-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.