Aspidocarpine
TL;DR: Aspidocarpine (CAS 466-45-5) is a chemical compound with molecular formula C22H30N2O3 and molecular weight 370.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(12-ethyl-6-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-8-yl)ethanone
Also Known As: Aspidocarpine, TimTec1_000959, 1-Acetyl-16-methoxyaspidospermidin-17-ol, Aspidospermidin-17-ol, 1-acetyl-16-methoxy-, 1-Acetyl-16-methoxyaspidospermidin-17-ol #
| Molecular Formula | C22H30N2O3 |
|---|---|
| Molecular Weight | 370.23 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 370.22565 |
| Heavy Atoms | 27 |
| Complexity | 627.0 |
Chemical Identifiers
| CAS Number | 466-45-5 |
|---|---|
| SMILES | CCC12CCCN3C1C4(CC3)C(CC2)N(C5=C4C=CC(=C5O)OC)C(=O)C |
| InChIKey | CITPXCNSMZMNIW-UHFFFAOYSA-N |
Product Overview
Aspidocarpine (CAS 466-45-5), with molecular formula C22H30N2O3 and molecular weight 370.23 g/mol. IUPAC: 1-(12-ethyl-6-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-8-yl)ethanone.
Chemical Property Profile of Aspidocarpine
Property Insights of Aspidocarpine
The XLogP value of 3.0 indicates that Aspidocarpine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.0 Ų, Aspidocarpine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aspidocarpine has 1 hydrogen bond donor(s) and 4 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 Aspidocarpine?
The CAS number of Aspidocarpine is 466-45-5.
What is the molecular formula of Aspidocarpine?
The molecular formula of Aspidocarpine is C22H30N2O3.
What is the molecular weight of Aspidocarpine?
The molecular weight of Aspidocarpine is 370.23 g/mol.
Where can I buy Aspidocarpine?
You can request a quote for Aspidocarpine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aspidocarpine?
Yes, KEHONG BIO provides custom synthesis services for Aspidocarpine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.