6-Demethylsterigmatocystin
TL;DR: 6-Demethylsterigmatocystin (CAS 30461-65-5) is a chemical compound with molecular formula C17H10O6 and molecular weight 310.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,7R)-11,15-dihydroxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1(12),2(9),4,10,14,16,18-heptaen-13-one
Also Known As: 6-Demethylsterigmatocystin, Demethylsterigmatocystin, DMST, O-Demethylsterigmatocystin, 4-19-00-05220 (Beilstein Handbook Reference)
| Molecular Formula | C17H10O6 |
|---|---|
| Molecular Weight | 310.05 g/mol |
| LogP | 2.7034 |
| Topological Polar Surface Area | 89.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 310.04773 |
| Heavy Atoms | 23 |
| Complexity | 1078.0569 |
Chemical Identifiers
| CAS Number | 30461-65-5 |
|---|---|
| SMILES | C1=CC(=C2C(=C1)OC3=C(C2=O)C(=CC4=C3[C@@H]5C=CO[C@@H]5O4)O)O |
Product Overview
6-Demethylsterigmatocystin (CAS 30461-65-5), with molecular formula C17H10O6 and molecular weight 310.05 g/mol. IUPAC: (3S,7R)-11,15-dihydroxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1(12),2(9),4,10,14,16,18-heptaen-13-one.
Chemical Property Profile of 6-Demethylsterigmatocystin
Property Insights of 6-Demethylsterigmatocystin
The XLogP value of 2.7034 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Demethylsterigmatocystin. The TPSA of 89.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Demethylsterigmatocystin. Following Lipinski's Rule of Five, 6-Demethylsterigmatocystin has 2 hydrogen bond donor(s) and 6 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 6-Demethylsterigmatocystin?
The CAS number of 6-Demethylsterigmatocystin is 30461-65-5.
What is the molecular formula of 6-Demethylsterigmatocystin?
The molecular formula of 6-Demethylsterigmatocystin is C17H10O6.
What is the molecular weight of 6-Demethylsterigmatocystin?
The molecular weight of 6-Demethylsterigmatocystin is 310.05 g/mol.
Where can I buy 6-Demethylsterigmatocystin?
You can request a quote for 6-Demethylsterigmatocystin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Demethylsterigmatocystin?
Yes, KEHONG BIO provides custom synthesis services for 6-Demethylsterigmatocystin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.