Cynometrine
TL;DR: Cynometrine (CAS 50656-83-2) is a chemical compound with molecular formula C16H19N3O2 and molecular weight 285.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4S)-3-[(S)-hydroxy(phenyl)methyl]-1-methyl-4-(1-methylimidazol-4-yl)pyrrolidin-2-one
Also Known As: Cynometrine, (3R,4S)-3-[(S)-hydroxy(phenyl)methyl]-1-methyl-4-(1-methylimidazol-4-yl)pyrrolidin-2-one, -3-[-hydroxy-phenyl-methyl]-1-methyl-4- pyrrolidin-2-one, -3-[ -hydroxy-phenyl-methyl]-1-methyl-4- pyrrolidin-2-one, (3R,4S)-3-[(S)-hydroxy(phenyl)methyl]-1-methyl-4-(1-methyl-1H-imidazol-4-yl)pyrrolidin-2-one
| Molecular Formula | C16H19N3O2 |
|---|---|
| Molecular Weight | 285.15 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.14774 |
| Heavy Atoms | 21 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 50656-83-2 |
|---|---|
| SMILES | CN1C[C@H]([C@@H](C1=O)[C@@H](C2=CC=CC=C2)O)C3=CN(C=N3)C |
| InChIKey | UJMVRXMFOYOOMI-NWANDNLSSA-N |
Product Overview
Cynometrine (CAS 50656-83-2), with molecular formula C16H19N3O2 and molecular weight 285.15 g/mol. IUPAC: (3R,4S)-3-[(S)-hydroxy(phenyl)methyl]-1-methyl-4-(1-methylimidazol-4-yl)pyrrolidin-2-one.
Chemical Property Profile of Cynometrine
Property Insights of Cynometrine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cynometrine. With a topological polar surface area (TPSA) of 58.4 Ų, Cynometrine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cynometrine has 1 hydrogen bond donor(s) and 3 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 Cynometrine?
The CAS number of Cynometrine is 50656-83-2.
What is the molecular formula of Cynometrine?
The molecular formula of Cynometrine is C16H19N3O2.
What is the molecular weight of Cynometrine?
The molecular weight of Cynometrine is 285.15 g/mol.
Where can I buy Cynometrine?
You can request a quote for Cynometrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cynometrine?
Yes, KEHONG BIO provides custom synthesis services for Cynometrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.