A3812/0161812
TL;DR: A3812/0161812 (CAS 727995-98-4) is a chemical compound with molecular formula C21H25N3O5 and molecular weight 399.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione
Also Known As: A3812/0161812, 1-(1,3-benzodioxol-5-yl)-3-[4-(pyrrolidin-1-ylcarbonyl)piperidin-1-yl]pyrrolidine-2,5-dione, 1-(1,3-benzodioxol-5-yl)-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione, 1-(1,3-BENZODIOXOL-5-YL)-3-[4-(1-PYRROLIDINYLCARBONYL)PIPERIDINO]DIHYDRO-1H-PYRROLE-2,5-DIONE
| Molecular Formula | C21H25N3O5 |
|---|---|
| Molecular Weight | 399.18 g/mol |
| LogP | 1.3816 |
| Topological Polar Surface Area | 79.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.1794 |
| Heavy Atoms | 29 |
| Complexity | 842.7184 |
Chemical Identifiers
| CAS Number | 727995-98-4 |
|---|---|
| SMILES | C1CCN(C1)C(=O)C2CCN(CC2)C3CC(=O)N(C3=O)C4=CC5=C(C=C4)OCO5 |
Product Overview
A3812/0161812 (CAS 727995-98-4), with molecular formula C21H25N3O5 and molecular weight 399.18 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione.
Chemical Property Profile of A3812/0161812
Property Insights of A3812/0161812
The XLogP value of 1.3816 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3812/0161812. The TPSA of 79.39 Ų falls within the moderate polarity range, balancing permeability and solubility for A3812/0161812. Following Lipinski's Rule of Five, A3812/0161812 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 A3812/0161812?
The CAS number of A3812/0161812 is 727995-98-4.
What is the molecular formula of A3812/0161812?
The molecular formula of A3812/0161812 is C21H25N3O5.
What is the molecular weight of A3812/0161812?
The molecular weight of A3812/0161812 is 399.18 g/mol.
Where can I buy A3812/0161812?
You can request a quote for A3812/0161812 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3812/0161812?
Yes, KEHONG BIO provides custom synthesis services for A3812/0161812 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.