Chelidonine hydrochloride
TL;DR: Chelidonine hydrochloride (CAS 4312-31-6) is a chemical compound with molecular formula C20H20ClNO5 and molecular weight 389.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,12S,13R)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol;hydrochloride
Also Known As: Chelidonine hydrochloride, Chelidonine, hydrochloride, (+)-Chelidonine hydrochloride, (+)-ChelidonineHCl, Chelidonine (hydrochloride)
| Molecular Formula | C20H20ClNO5 |
|---|---|
| Molecular Weight | 389.10 g/mol |
| LogP | 2.7531 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 389.103 |
| Heavy Atoms | 27 |
| Complexity | 560.0 |
Chemical Identifiers
| CAS Number | 4312-31-6 |
|---|---|
| SMILES | CN1CC2=C(C=CC3=C2OCO3)[C@@H]4[C@H]1C5=CC6=C(C=C5C[C@@H]4O)OCO6.Cl |
| InChIKey | LVURMIFHBFKWNP-PHANBDLMSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chelidonine hydrochloride (CAS 4312-31-6), with molecular formula C20H20ClNO5 and molecular weight 389.10 g/mol. IUPAC: (1S,12S,13R)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol;hydrochloride.
Chemical Property Profile of Chelidonine hydrochloride
Property Insights of Chelidonine hydrochloride
The XLogP value of 2.7531 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chelidonine hydrochloride. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Chelidonine hydrochloride. Following Lipinski's Rule of Five, Chelidonine hydrochloride has 2 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 Chelidonine hydrochloride?
The CAS number of Chelidonine hydrochloride is 4312-31-6.
What is the molecular formula of Chelidonine hydrochloride?
The molecular formula of Chelidonine hydrochloride is C20H20ClNO5.
What is the molecular weight of Chelidonine hydrochloride?
The molecular weight of Chelidonine hydrochloride is 389.10 g/mol.
Where can I buy Chelidonine hydrochloride?
You can request a quote for Chelidonine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chelidonine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Chelidonine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.