Homochelidonine
TL;DR: Homochelidonine (CAS 5440-40-4) is a chemical compound with molecular formula C21H23NO5 and molecular weight 369.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4bR,5S,11bS)-1,2-dimethoxy-12-methyl-5,6,11b,13-tetrahydro-4bH-[1,3]benzodioxolo[5,6-c]phenanthridin-5-ol
Also Known As: Homochelidonine, alpha-Allocryptopine, alpha-Homochelidonine, ?-Homochelidonine, Doxycycline hyclate
| Molecular Formula | C21H23NO5 |
|---|---|
| Molecular Weight | 369.16 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 369.15762 |
| Heavy Atoms | 27 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 5440-40-4 |
|---|---|
| SMILES | CN1CC2=C(C=CC(=C2OC)OC)[C@@H]3[C@H]1C4=CC5=C(C=C4C[C@@H]3O)OCO5 |
| InChIKey | MADYLZJCRKUBIK-RYGJVYDSSA-N |
Product Overview
Homochelidonine (CAS 5440-40-4), with molecular formula C21H23NO5 and molecular weight 369.16 g/mol. IUPAC: (4bR,5S,11bS)-1,2-dimethoxy-12-methyl-5,6,11b,13-tetrahydro-4bH-[1,3]benzodioxolo[5,6-c]phenanthridin-5-ol.
Chemical Property Profile of Homochelidonine
Property Insights of Homochelidonine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Homochelidonine. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Homochelidonine. Following Lipinski's Rule of Five, Homochelidonine 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 Homochelidonine?
The CAS number of Homochelidonine is 5440-40-4.
What is the molecular formula of Homochelidonine?
The molecular formula of Homochelidonine is C21H23NO5.
What is the molecular weight of Homochelidonine?
The molecular weight of Homochelidonine is 369.16 g/mol.
Where can I buy Homochelidonine?
You can request a quote for Homochelidonine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Homochelidonine?
Yes, KEHONG BIO provides custom synthesis services for Homochelidonine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.