Narceine hydrochloride
TL;DR: Narceine hydrochloride (CAS 4901-03-5) is a chemical compound with molecular formula C23H28ClNO8 and molecular weight 481.15 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;hydrochloride
Also Known As: Narceine hydrochloride, Narceine HCl, NARCEINE, HYDROCHLORIDE, NARCEINE HYDROCHLORIDE [WHO-DD], NARCEINE HYDROCHLORIDE, PYRROLIZIDINE ALKALOID
| Molecular Formula | C23H28ClNO8 |
|---|---|
| Molecular Weight | 481.15 g/mol |
| LogP | 3.09 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 481.15033 |
| Heavy Atoms | 33 |
| Complexity | 643.0 |
Chemical Identifiers
| CAS Number | 4901-03-5 |
|---|---|
| SMILES | CN(C)CCC1=CC2=C(C(=C1CC(=O)C3=C(C(=C(C=C3)OC)OC)C(=O)O)OC)OCO2.Cl |
| InChIKey | QDFXBTCNMNZVHX-UHFFFAOYSA-N |
Product Overview
Narceine hydrochloride (CAS 4901-03-5), with molecular formula C23H28ClNO8 and molecular weight 481.15 g/mol. IUPAC: 6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoic acid;hydrochloride.
Chemical Property Profile of Narceine hydrochloride
Property Insights of Narceine hydrochloride
The XLogP value of 3.09 indicates that Narceine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Narceine hydrochloride. Following Lipinski's Rule of Five, Narceine hydrochloride has 2 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 hydrochloride?
The CAS number of Narceine hydrochloride is 4901-03-5.
What is the molecular formula of Narceine hydrochloride?
The molecular formula of Narceine hydrochloride is C23H28ClNO8.
What is the molecular weight of Narceine hydrochloride?
The molecular weight of Narceine hydrochloride is 481.15 g/mol.
Where can I buy Narceine hydrochloride?
You can request a quote for Narceine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Narceine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Narceine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.