Spegazzinine
TL;DR: Spegazzinine (CAS 6882-72-0) is a chemical compound with molecular formula C21H28N2O3 and molecular weight 356.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(1S,9S,10S,12R,19R)-12-ethyl-6,10-dihydroxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-8-yl]ethanone
Also Known As: Spegazzinine, (+)-Spegazzinine, 1-Acetylaspidospermidine-3alpha,17-diol, Aspidospermidine-3,17-diol, 1-acetyl-, (3alpha)-, 1-(3,17-Dihydroxyaspidospermidin-1-yl)ethan-1-one
| Molecular Formula | C21H28N2O3 |
|---|---|
| Molecular Weight | 356.21 g/mol |
| LogP | 2.3942 |
| Topological Polar Surface Area | 64.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 356.21 |
| Heavy Atoms | 26 |
| Complexity | 780.5197 |
Chemical Identifiers
| CAS Number | 6882-72-0 |
|---|---|
| SMILES | CC[C@]12CCCN3[C@H]1[C@@]4(CC3)[C@@H]([C@H](C2)O)N(C5=C4C=CC=C5O)C(=O)C |
Product Overview
Spegazzinine (CAS 6882-72-0), with molecular formula C21H28N2O3 and molecular weight 356.21 g/mol. IUPAC: 1-[(1S,9S,10S,12R,19R)-12-ethyl-6,10-dihydroxy-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 Spegazzinine
Property Insights of Spegazzinine
The XLogP value of 2.3942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spegazzinine. The TPSA of 64.01 Ų falls within the moderate polarity range, balancing permeability and solubility for Spegazzinine. Following Lipinski's Rule of Five, Spegazzinine has 2 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 Spegazzinine?
The CAS number of Spegazzinine is 6882-72-0.
What is the molecular formula of Spegazzinine?
The molecular formula of Spegazzinine is C21H28N2O3.
What is the molecular weight of Spegazzinine?
The molecular weight of Spegazzinine is 356.21 g/mol.
Where can I buy Spegazzinine?
You can request a quote for Spegazzinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spegazzinine?
Yes, KEHONG BIO provides custom synthesis services for Spegazzinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.