Aspidospermatine
TL;DR: Aspidospermatine (CAS 5794-14-9) is a chemical compound with molecular formula C21H26N2O2 and molecular weight 338.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(1R,9R,11R,17R,18E)-18-ethylidene-6-methoxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5-trien-8-yl]ethanone
Also Known As: Aspidospermatine, 1-[(1R,9R,11R,17R,18E)-18-ethylidene-6-methoxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5-trien-8-yl]ethanone, 1-(18-Ethylidene-6-methoxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5-trien-8-yl)ethanone, 1-[(3aR,4E,5R,6aR,11bR)-4-Ethylidene-8-methoxy-1,2,4,5,6,6a-hexahydro-3,5-ethanopyrrolo[2,3-d]carbazol-7(3aH)-yl]ethan-1-one
| Molecular Formula | C21H26N2O2 |
|---|---|
| Molecular Weight | 338.20 g/mol |
| LogP | 3.1123 |
| Topological Polar Surface Area | 32.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 338.19943 |
| Heavy Atoms | 25 |
| Complexity | 786.10077 |
Chemical Identifiers
| CAS Number | 5794-14-9 |
|---|---|
| SMILES | C/C=C/1\[C@@H]2CCN3[C@H]1[C@@]4(CC3)[C@@H](C2)N(C5=C4C=CC=C5OC)C(=O)C |
Product Overview
Aspidospermatine (CAS 5794-14-9), with molecular formula C21H26N2O2 and molecular weight 338.20 g/mol. IUPAC: 1-[(1R,9R,11R,17R,18E)-18-ethylidene-6-methoxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5-trien-8-yl]ethanone.
Chemical Property Profile of Aspidospermatine
Property Insights of Aspidospermatine
The XLogP value of 3.1123 indicates that Aspidospermatine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.78 Ų, Aspidospermatine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aspidospermatine has 0 hydrogen bond donor(s) and 3 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 Aspidospermatine?
The CAS number of Aspidospermatine is 5794-14-9.
What is the molecular formula of Aspidospermatine?
The molecular formula of Aspidospermatine is C21H26N2O2.
What is the molecular weight of Aspidospermatine?
The molecular weight of Aspidospermatine is 338.20 g/mol.
Where can I buy Aspidospermatine?
You can request a quote for Aspidospermatine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aspidospermatine?
Yes, KEHONG BIO provides custom synthesis services for Aspidospermatine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.