霹雳萝芙木碱
TL;DR: 霹雳萝芙木碱 (CAS 4382-56-3) is a chemical compound with molecular formula C21H22N2O3 and molecular weight 350.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
霹雳萝芙木碱
[(1R,10S,13R,14S,16S,18R)-13-formyl-14-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate
Also Known As: Perakine, Raucaffrine, Indole alkaloid, [formyl(methyl)[?]yl] acetate, [(1R,10S,13R,14S,16S,18R)-13-formyl-14-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate
| Molecular Formula | C21H22N2O3 |
|---|---|
| Molecular Weight | 350.16 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.16306 |
| Heavy Atoms | 26 |
| Complexity | 720.0 |
Chemical Identifiers
| CAS Number | 4382-56-3 |
|---|---|
| SMILES | C[C@H]1[C@@H](C2C[C@@H]3N1[C@@H]4C2[C@H]([C@@]5(C4)C3=NC6=CC=CC=C56)OC(=O)C)C=O |
| InChIKey | GDXJMOGWONJRHL-HWUILILVSA-N |
Product Overview
霹雳萝芙木碱 (CAS 4382-56-3), with molecular formula C21H22N2O3 and molecular weight 350.16 g/mol. IUPAC: [(1R,10S,13R,14S,16S,18R)-13-formyl-14-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate.
Chemical Property Profile of 霹雳萝芙木碱
Property Insights of 霹雳萝芙木碱
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 霹雳萝芙木碱. With a topological polar surface area (TPSA) of 59.0 Ų, 霹雳萝芙木碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 霹雳萝芙木碱 has 0 hydrogen bond donor(s) and 5 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 霹雳萝芙木碱?
The CAS number of 霹雳萝芙木碱 is 4382-56-3.
What is the molecular formula of 霹雳萝芙木碱?
The molecular formula of 霹雳萝芙木碱 is C21H22N2O3.
What is the molecular weight of 霹雳萝芙木碱?
The molecular weight of 霹雳萝芙木碱 is 350.16 g/mol.
Where can I buy 霹雳萝芙木碱?
You can request a quote for 霹雳萝芙木碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 霹雳萝芙木碱?
Yes, KEHONG BIO provides custom synthesis services for 霹雳萝芙木碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.