AB00101276-01
TL;DR: AB00101276-01 (CAS 313380-66-4) is a chemical compound with molecular formula C21H21ClFN3O2 and molecular weight 401.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-4-methylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
Also Known As: AB00101276-01, 1-(3-chloro-4-methylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione, 1-(3-chloro-4-methyl-phenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione, 1-(3-chloro-4-methylphenyl)-3-(4-(4-fluorophenyl)piperazin-1-yl)pyrrolidine-2,5-dione
| Molecular Formula | C21H21ClFN3O2 |
|---|---|
| Molecular Weight | 401.13 g/mol |
| LogP | 3.24162 |
| Topological Polar Surface Area | 43.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.13065 |
| Heavy Atoms | 28 |
| Complexity | 910.36676 |
Chemical Identifiers
| CAS Number | 313380-66-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=C(C=C4)F)Cl |
Product Overview
AB00101276-01 (CAS 313380-66-4), with molecular formula C21H21ClFN3O2 and molecular weight 401.13 g/mol. IUPAC: 1-(3-chloro-4-methylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione.
Chemical Property Profile of AB00101276-01
Property Insights of AB00101276-01
The XLogP value of 3.24162 indicates that AB00101276-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.86 Ų, AB00101276-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00101276-01 has 0 hydrogen bond donor(s) and 4 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 AB00101276-01?
The CAS number of AB00101276-01 is 313380-66-4.
What is the molecular formula of AB00101276-01?
The molecular formula of AB00101276-01 is C21H21ClFN3O2.
What is the molecular weight of AB00101276-01?
The molecular weight of AB00101276-01 is 401.13 g/mol.
Where can I buy AB00101276-01?
You can request a quote for AB00101276-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00101276-01?
Yes, KEHONG BIO provides custom synthesis services for AB00101276-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.