Stemphyltoxin I
TL;DR: Stemphyltoxin I (CAS 110483-06-2) is a chemical compound with molecular formula C20H14O7 and molecular weight 366.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9S,10R,11S,12R,14R)-5,9,10,17-tetrahydroxy-13-oxahexacyclo[9.8.1.12,6.012,14.016,20.010,21]henicosa-1(20),2(21),3,5,16,18-hexaene-7,15-dione
Also Known As: Stemphyltoxin I, Altertoxin I, Stempyltoxin I, KST-1A0531, J3.333.137A
| Molecular Formula | C20H14O7 |
|---|---|
| Molecular Weight | 366.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 366.07394 |
| Heavy Atoms | 27 |
| Complexity | 723.0 |
Chemical Identifiers
| CAS Number | 110483-06-2 |
|---|---|
| SMILES | C1[C@@H]([C@]2([C@@H]3[C@@H]4[C@@H](O4)C(=O)C5=C(C=CC(=C35)C6=C2C(=C(C=C6)O)C1=O)O)O)O |
| InChIKey | CWLFJXQTLUVHKQ-KLFMHZEUSA-N |
Product Overview
Stemphyltoxin I (CAS 110483-06-2), with molecular formula C20H14O7 and molecular weight 366.07 g/mol. IUPAC: (9S,10R,11S,12R,14R)-5,9,10,17-tetrahydroxy-13-oxahexacyclo[9.8.1.12,6.012,14.016,20.010,21]henicosa-1(20),2(21),3,5,16,18-hexaene-7,15-dione.
Chemical Property Profile of Stemphyltoxin I
Property Insights of Stemphyltoxin I
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Stemphyltoxin I. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Stemphyltoxin I. Following Lipinski's Rule of Five, Stemphyltoxin I has 4 hydrogen bond donor(s) and 7 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 Stemphyltoxin I?
The CAS number of Stemphyltoxin I is 110483-06-2.
What is the molecular formula of Stemphyltoxin I?
The molecular formula of Stemphyltoxin I is C20H14O7.
What is the molecular weight of Stemphyltoxin I?
The molecular weight of Stemphyltoxin I is 366.07 g/mol.
Where can I buy Stemphyltoxin I?
You can request a quote for Stemphyltoxin I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Stemphyltoxin I?
Yes, KEHONG BIO provides custom synthesis services for Stemphyltoxin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.