AB00096263-01
TL;DR: AB00096263-01 (CAS 313380-91-5) is a chemical compound with molecular formula C23H22F3N3O4 and molecular weight 461.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2,5-dioxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidin-1-yl]benzoate
Also Known As: AB00096263-01, methyl 4-(2,5-dioxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrrolidin-1-yl)benzoate, Methyl 4-[2,5-dioxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidin-1-yl]benzoate, methyl 4-(2,5-dioxo-3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)pyrrolidin-1-yl)benzoate
| Molecular Formula | C23H22F3N3O4 |
|---|---|
| Molecular Weight | 461.16 g/mol |
| LogP | 2.9461 |
| Topological Polar Surface Area | 70.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 461.15625 |
| Heavy Atoms | 33 |
| Complexity | 1063.3665 |
Chemical Identifiers
| CAS Number | 313380-91-5 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F |
Product Overview
AB00096263-01 (CAS 313380-91-5), with molecular formula C23H22F3N3O4 and molecular weight 461.16 g/mol. IUPAC: methyl 4-[2,5-dioxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidin-1-yl]benzoate.
Chemical Property Profile of AB00096263-01
Property Insights of AB00096263-01
The XLogP value of 2.9461 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00096263-01. The TPSA of 70.16 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00096263-01. Following Lipinski's Rule of Five, AB00096263-01 has 0 hydrogen bond donor(s) and 6 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 AB00096263-01?
The CAS number of AB00096263-01 is 313380-91-5.
What is the molecular formula of AB00096263-01?
The molecular formula of AB00096263-01 is C23H22F3N3O4.
What is the molecular weight of AB00096263-01?
The molecular weight of AB00096263-01 is 461.16 g/mol.
Where can I buy AB00096263-01?
You can request a quote for AB00096263-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00096263-01?
Yes, KEHONG BIO provides custom synthesis services for AB00096263-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.