Neferine
TL;DR: Neferine (CAS 484-33-3) is a chemical compound with molecular formula C38H44N2O6 and molecular weight 624.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[[(1R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]phenol
Also Known As: Neferine, Neferin, Pongamol, (-)-Neferine, NEFERINE (REFERENCE GRADE)
| Molecular Formula | C38H44N2O6 |
|---|---|
| Molecular Weight | 624.32 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 624.31995 |
| Heavy Atoms | 46 |
| Complexity | 933.0 |
Chemical Identifiers
| CAS Number | 484-33-3 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)OC)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC |
| InChIKey | MIBATSHDJRIUJK-ROJLCIKYSA-N |
Product Overview
Neferine (CAS 484-33-3), with molecular formula C38H44N2O6 and molecular weight 624.32 g/mol. IUPAC: 4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[[(1R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]phenol.
Chemical Property Profile of Neferine
Property Insights of Neferine
The XLogP value of 6.7 indicates that Neferine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Neferine. Following Lipinski's Rule of Five, Neferine has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Neferine?
The CAS number of Neferine is 484-33-3.
What is the molecular formula of Neferine?
The molecular formula of Neferine is C38H44N2O6.
What is the molecular weight of Neferine?
The molecular weight of Neferine is 624.32 g/mol.
Where can I buy Neferine?
You can request a quote for Neferine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neferine?
Yes, KEHONG BIO provides custom synthesis services for Neferine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.