Cinchonine, mononitrate, hemihydrate
TL;DR: Cinchonine, mononitrate, hemihydrate (CAS 59957-97-0) is a chemical compound with molecular formula C18H22N4O5 and molecular weight 374.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-4-hydroxy-2-(3-nitrophenyl)-1-(2-piperazin-1-ylethyl)-2H-pyrrol-5-one
Also Known As: Cinchonine, mononitrate, hemihydrate, BAS 01296584, BIM-0038591.P001, Pyrrol-2(5H)-one, 4-acetyl-3-hydroxy-5-(3-nitrophenyl)-1-[2-(1-piperazinyl)ethyl]-, AB00101611-01
| Molecular Formula | C18H22N4O5 |
|---|---|
| Molecular Weight | 374.16 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.15903 |
| Heavy Atoms | 27 |
| Complexity | 638.0 |
Chemical Identifiers
| CAS Number | 59957-97-0 |
|---|---|
| SMILES | CC(=O)C1=C(C(=O)N(C1C2=CC(=CC=C2)[N+](=O)[O-])CCN3CCNCC3)O |
| InChIKey | CBWGDUQESSYDDK-UHFFFAOYSA-N |
Product Overview
Cinchonine, mononitrate, hemihydrate (CAS 59957-97-0), with molecular formula C18H22N4O5 and molecular weight 374.16 g/mol. IUPAC: 3-acetyl-4-hydroxy-2-(3-nitrophenyl)-1-(2-piperazin-1-ylethyl)-2H-pyrrol-5-one.
Chemical Property Profile of Cinchonine, mononitrate, hemihydrate
Property Insights of Cinchonine, mononitrate, hemihydrate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cinchonine, mononitrate, hemihydrate. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cinchonine, mononitrate, hemihydrate. Following Lipinski's Rule of Five, Cinchonine, mononitrate, hemihydrate has 2 hydrogen bond donor(s) and 7 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 Cinchonine, mononitrate, hemihydrate?
The CAS number of Cinchonine, mononitrate, hemihydrate is 59957-97-0.
What is the molecular formula of Cinchonine, mononitrate, hemihydrate?
The molecular formula of Cinchonine, mononitrate, hemihydrate is C18H22N4O5.
What is the molecular weight of Cinchonine, mononitrate, hemihydrate?
The molecular weight of Cinchonine, mononitrate, hemihydrate is 374.16 g/mol.
Where can I buy Cinchonine, mononitrate, hemihydrate?
You can request a quote for Cinchonine, mononitrate, hemihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cinchonine, mononitrate, hemihydrate?
Yes, KEHONG BIO provides custom synthesis services for Cinchonine, mononitrate, hemihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.