Narceine
TL;DR: Narceine (CAS 131-28-2) is a chemical compound with molecular formula C23H27NO8 and molecular weight 445.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoic acid
Also Known As: NARCEINE, Narcein, phorate, NARCEINE [MI], NARCEINE [MART.]
| Molecular Formula | C23H27NO8 |
|---|---|
| Molecular Weight | 445.17 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 445.17368 |
| Heavy Atoms | 32 |
| Complexity | 643.0 |
| Melting Point | 145 °C |
| Solubility | 0.78 mg/mL at 13 °C |
Chemical Identifiers
| CAS Number | 131-28-2 |
|---|---|
| SMILES | CN(C)CCC1=CC2=C(C(=C1CC(=O)C3=C(C(=C(C=C3)OC)OC)C(=O)O)OC)OCO2 |
| InChIKey | DEXMFYZAHXMZNM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Narceine (CAS 131-28-2), with molecular formula C23H27NO8 and molecular weight 445.17 g/mol. IUPAC: 6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoic acid.
Chemical Property Profile of Narceine
Property Insights of Narceine
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Narceine. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Narceine. Following Lipinski's Rule of Five, Narceine has 1 hydrogen bond donor(s) and 9 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 Narceine?
The CAS number of Narceine is 131-28-2.
What is the molecular formula of Narceine?
The molecular formula of Narceine is C23H27NO8.
What is the molecular weight of Narceine?
The molecular weight of Narceine is 445.17 g/mol.
Where can I buy Narceine?
You can request a quote for Narceine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Narceine?
Yes, KEHONG BIO provides custom synthesis services for Narceine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.