A3787/0160796
TL;DR: A3787/0160796 (CAS 727682-40-8) is a chemical compound with molecular formula C22H28ClN3O3 and molecular weight 417.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione
Also Known As: A3787/0160796, 1-(4-chlorophenyl)-3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione, 1-(4-chlorophenyl)-3-{4-[(4-methylpiperidin-1-yl)carbonyl]piperidin-1-yl}pyrrolidine-2,5-dione, 1-(4-CHLOROPHENYL)-3-{4-[(4-METHYLPIPERIDINO)CARBONYL]PIPERIDINO}DIHYDRO-1H-PYRROLE-2,5-DIONE
| Molecular Formula | C22H28ClN3O3 |
|---|---|
| Molecular Weight | 417.18 g/mol |
| LogP | 2.9424 |
| Topological Polar Surface Area | 60.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.18192 |
| Heavy Atoms | 29 |
| Complexity | 780.99713 |
Chemical Identifiers
| CAS Number | 727682-40-8 |
|---|---|
| SMILES | CC1CCN(CC1)C(=O)C2CCN(CC2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)Cl |
Product Overview
A3787/0160796 (CAS 727682-40-8), with molecular formula C22H28ClN3O3 and molecular weight 417.18 g/mol. IUPAC: 1-(4-chlorophenyl)-3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione.
Chemical Property Profile of A3787/0160796
Property Insights of A3787/0160796
The XLogP value of 2.9424 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3787/0160796. The TPSA of 60.93 Ų falls within the moderate polarity range, balancing permeability and solubility for A3787/0160796. Following Lipinski's Rule of Five, A3787/0160796 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 A3787/0160796?
The CAS number of A3787/0160796 is 727682-40-8.
What is the molecular formula of A3787/0160796?
The molecular formula of A3787/0160796 is C22H28ClN3O3.
What is the molecular weight of A3787/0160796?
The molecular weight of A3787/0160796 is 417.18 g/mol.
Where can I buy A3787/0160796?
You can request a quote for A3787/0160796 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3787/0160796?
Yes, KEHONG BIO provides custom synthesis services for A3787/0160796 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.