spirasine IX
TL;DR: spirasine IX (CAS 102386-47-0) is a chemical compound with molecular formula C20H25NO and molecular weight 295.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,9S,11R,16S,17R,18R)-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: Spirasine IX, Hetisan-11-one, (20xi)-21xi-Hetisan-11-one, (5R,9S,11R,16S,17R,18R)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-19-one, RefChem:184751
| Molecular Formula | C20H25NO |
|---|---|
| Molecular Weight | 295.19 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 295.1936 |
| Heavy Atoms | 22 |
| Complexity | 683.0 |
Chemical Identifiers
| CAS Number | 102386-47-0 |
|---|---|
| SMILES | C[C@@]12CCCC34[C@@H]1[C@@H]5CC67[C@H]3C(=O)[C@H](C[C@@H]6C4N5C2)C(=C)C7 |
| InChIKey | GDZKAQWKAOPGBO-GMYBCVFKSA-N |
Product Overview
spirasine IX (CAS 102386-47-0), with molecular formula C20H25NO and molecular weight 295.19 g/mol. IUPAC: (5R,9S,11R,16S,17R,18R)-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 spirasine IX
Property Insights of spirasine IX
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for spirasine IX. With a topological polar surface area (TPSA) of 20.3 Ų, spirasine IX exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, spirasine IX has 0 hydrogen bond donor(s) and 2 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 spirasine IX?
The CAS number of spirasine IX is 102386-47-0.
What is the molecular formula of spirasine IX?
The molecular formula of spirasine IX is C20H25NO.
What is the molecular weight of spirasine IX?
The molecular weight of spirasine IX is 295.19 g/mol.
Where can I buy spirasine IX?
You can request a quote for spirasine IX directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for spirasine IX?
Yes, KEHONG BIO provides custom synthesis services for spirasine IX and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.