stigmatellin
TL;DR: stigmatellin (CAS 91682-96-1) is a chemical compound with molecular formula C30H42O7 and molecular weight 514.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,6-dimethoxy-3,5,11-trimethyltrideca-7,9,11-trienyl)-8-hydroxy-5,7-dimethoxy-3-methylchromen-4-one
Also Known As: stigmatellin, stigmatellin a, 2-(4,6-dimethoxy-3,5,11-trimethyltrideca-7,9,11-trienyl)-8-hydroxy-5,7-dimethoxy-3-methylchromen-4-one, 2-(4,6-dimethoxy-3,5,11-trimethyltrideca-7,9,11-trien-1-yl)-8-hydroxy-5,7-dimethoxy-3-methyl-4h-chromen-4-one
| Molecular Formula | C30H42O7 |
|---|---|
| Molecular Weight | 514.29 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 514.293 |
| Heavy Atoms | 37 |
| Complexity | 858.0 |
Chemical Identifiers
| CAS Number | 91682-96-1 |
|---|---|
| SMILES | CC=C(C)C=CC=CC(C(C)C(C(C)CCC1=C(C(=O)C2=C(O1)C(=C(C=C2OC)OC)O)C)OC)OC |
| InChIKey | UZHDGDDPOPDJGM-UHFFFAOYSA-N |
Product Overview
stigmatellin (CAS 91682-96-1), with molecular formula C30H42O7 and molecular weight 514.29 g/mol. IUPAC: 2-(4,6-dimethoxy-3,5,11-trimethyltrideca-7,9,11-trienyl)-8-hydroxy-5,7-dimethoxy-3-methylchromen-4-one.
Chemical Property Profile of stigmatellin
Property Insights of stigmatellin
The XLogP value of 6.3 indicates that stigmatellin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for stigmatellin. Following Lipinski's Rule of Five, stigmatellin has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of stigmatellin?
The CAS number of stigmatellin is 91682-96-1.
What is the molecular formula of stigmatellin?
The molecular formula of stigmatellin is C30H42O7.
What is the molecular weight of stigmatellin?
The molecular weight of stigmatellin is 514.29 g/mol.
Where can I buy stigmatellin?
You can request a quote for stigmatellin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for stigmatellin?
Yes, KEHONG BIO provides custom synthesis services for stigmatellin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.