Spiradine A
TL;DR: Spiradine A (CAS 19741-46-9) is a chemical compound with molecular formula C20H25NO2 and molecular weight 311.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,5R,11R,14S,16S,17R,18R)-16-hydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-19-one
Also Known As: Spiradine A, 6-Hydroxyhetisan-11-one, (14xi,20xi,21xi)-6beta-Hydroxyhetisan-11-one, (1S,5R,11R,14S,16S,17R,18R)-16-hydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-19-one, (2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromenylium-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
| Molecular Formula | C20H25NO2 |
|---|---|
| Molecular Weight | 311.19 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 311.18854 |
| Heavy Atoms | 23 |
| Complexity | 731.0 |
Chemical Identifiers
| CAS Number | 19741-46-9 |
|---|---|
| SMILES | C[C@@]12CCC[C@]34[C@@H]1[C@]5(C[C@]67[C@H]3C(=O)[C@H](CC6C4N5C2)C(=C)C7)O |
| InChIKey | YWJLOJZDBLDKSA-MLJITFGKSA-N |
Product Overview
Spiradine A (CAS 19741-46-9), with molecular formula C20H25NO2 and molecular weight 311.19 g/mol. IUPAC: (1S,5R,11R,14S,16S,17R,18R)-16-hydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-19-one.
Chemical Property Profile of Spiradine A
Property Insights of Spiradine A
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spiradine A. With a topological polar surface area (TPSA) of 40.5 Ų, Spiradine A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spiradine A has 1 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 Spiradine A?
The CAS number of Spiradine A is 19741-46-9.
What is the molecular formula of Spiradine A?
The molecular formula of Spiradine A is C20H25NO2.
What is the molecular weight of Spiradine A?
The molecular weight of Spiradine A is 311.19 g/mol.
Where can I buy Spiradine A?
You can request a quote for Spiradine A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiradine A?
Yes, KEHONG BIO provides custom synthesis services for Spiradine A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.