Septentriosine
TL;DR: Septentriosine (CAS 13297-36-4) is a chemical compound with molecular formula C20H27NO4 and molecular weight 345.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,5R,6R,9S,11S,16R,17S,18S)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-2,3,6,18-tetrol
Also Known As: Septentriosine, KST-1A1116, (1, A,2, A,6
| Molecular Formula | C20H27NO4 |
|---|---|
| Molecular Weight | 345.19 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 345.194 |
| Heavy Atoms | 25 |
| Complexity | 756.0 |
Chemical Identifiers
| CAS Number | 13297-36-4 |
|---|---|
| SMILES | C[C@@]12C[C@@H]([C@H](C34[C@@H]1[C@H]5CC67[C@]3(C[C@H](C[C@@H]6C4N5[C@@H]2O)C(=C)C7)O)O)O |
| InChIKey | FQPRSAQZPQSWKW-SFGCJOHZSA-N |
Product Overview
Septentriosine (CAS 13297-36-4), with molecular formula C20H27NO4 and molecular weight 345.19 g/mol. IUPAC: (2S,3S,5R,6R,9S,11S,16R,17S,18S)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-2,3,6,18-tetrol.
Chemical Property Profile of Septentriosine
Property Insights of Septentriosine
The XLogP value of -0.1 indicates that Septentriosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Septentriosine. Following Lipinski's Rule of Five, Septentriosine has 4 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 Septentriosine?
The CAS number of Septentriosine is 13297-36-4.
What is the molecular formula of Septentriosine?
The molecular formula of Septentriosine is C20H27NO4.
What is the molecular weight of Septentriosine?
The molecular weight of Septentriosine is 345.19 g/mol.
Where can I buy Septentriosine?
You can request a quote for Septentriosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Septentriosine?
Yes, KEHONG BIO provides custom synthesis services for Septentriosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.