alpha-Fagarine hydrochloride
TL;DR: alpha-Fagarine hydrochloride (CAS 5569-36-8) is a chemical compound with molecular formula C21H24ClNO5 and molecular weight 405.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,8-dimethoxy-11-methyl-17,19-dioxa-11-azatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one;hydrochloride
Also Known As: alpha-Fagarine hydrochloride, Thalictrimine hydrochloride, Allocryptopine hydrochloride, beta-Homochelidonine hydrochloride, (1,3)Benzodioxolo(5,6-e)(2)benzazecin-14(6H)-one, 5,7,8,15-tetrahydro-3,4-dimethoxy-6-methyl-, monohydrochloride
| Molecular Formula | C21H24ClNO5 |
|---|---|
| Molecular Weight | 405.13 g/mol |
| LogP | 3.2676 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 405.1343 |
| Heavy Atoms | 28 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 5569-36-8 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)OC)OCO3.Cl |
| InChIKey | BPAVANNIWODSTP-UHFFFAOYSA-N |
Product Overview
alpha-Fagarine hydrochloride (CAS 5569-36-8), with molecular formula C21H24ClNO5 and molecular weight 405.13 g/mol. IUPAC: 7,8-dimethoxy-11-methyl-17,19-dioxa-11-azatetracyclo[12.7.0.04,9.016,20]henicosa-1(21),4(9),5,7,14,16(20)-hexaen-2-one;hydrochloride.
Chemical Property Profile of alpha-Fagarine hydrochloride
Property Insights of alpha-Fagarine hydrochloride
The XLogP value of 3.2676 indicates that alpha-Fagarine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.2 Ų, alpha-Fagarine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Fagarine hydrochloride has 1 hydrogen bond donor(s) and 6 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 alpha-Fagarine hydrochloride?
The CAS number of alpha-Fagarine hydrochloride is 5569-36-8.
What is the molecular formula of alpha-Fagarine hydrochloride?
The molecular formula of alpha-Fagarine hydrochloride is C21H24ClNO5.
What is the molecular weight of alpha-Fagarine hydrochloride?
The molecular weight of alpha-Fagarine hydrochloride is 405.13 g/mol.
Where can I buy alpha-Fagarine hydrochloride?
You can request a quote for alpha-Fagarine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Fagarine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for alpha-Fagarine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.