Demethyl-diacetyl-sterigmatocystin
TL;DR: Demethyl-diacetyl-sterigmatocystin (CAS 58086-34-3) is a chemical compound with molecular formula C21H14O8 and molecular weight 394.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11-acetyloxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,4,9,11,14(19),15,17-heptaen-15-yl) acetate
Also Known As: Demethyl-diacetyl-sterigmatocystin, Dihydrosterigmatocystin-acetat, 6,8-Dihydroxy-3a,12c-dihydro-7H-furo(3',2':4,5)furo(2,3-c)xanthen-7-one diacetate, 7H-Furo(3',2':4,5)furo(2,3-c)xanthen-7-one, 3a,12c-dihydro-6,8-dihydroxy-, diacetate, 7-oxo-3a,12c-dihydro-7H-furo[3',2':4,5]furo[2,3-c]xanthene-6,8-diyl diacetate
| Molecular Formula | C21H14O8 |
|---|---|
| Molecular Weight | 394.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 97.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.06888 |
| Heavy Atoms | 29 |
| Complexity | 747.0 |
Chemical Identifiers
| CAS Number | 58086-34-3 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC2=C1C(=O)C3=C(C=C4C(=C3O2)C5C=COC5O4)OC(=O)C |
| InChIKey | IGYWEDCNAGIORC-UHFFFAOYSA-N |
Product Overview
Demethyl-diacetyl-sterigmatocystin (CAS 58086-34-3), with molecular formula C21H14O8 and molecular weight 394.07 g/mol. IUPAC: (11-acetyloxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,4,9,11,14(19),15,17-heptaen-15-yl) acetate.
Chemical Property Profile of Demethyl-diacetyl-sterigmatocystin
Property Insights of Demethyl-diacetyl-sterigmatocystin
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Demethyl-diacetyl-sterigmatocystin. The TPSA of 97.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Demethyl-diacetyl-sterigmatocystin. Following Lipinski's Rule of Five, Demethyl-diacetyl-sterigmatocystin has 0 hydrogen bond donor(s) and 8 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 Demethyl-diacetyl-sterigmatocystin?
The CAS number of Demethyl-diacetyl-sterigmatocystin is 58086-34-3.
What is the molecular formula of Demethyl-diacetyl-sterigmatocystin?
The molecular formula of Demethyl-diacetyl-sterigmatocystin is C21H14O8.
What is the molecular weight of Demethyl-diacetyl-sterigmatocystin?
The molecular weight of Demethyl-diacetyl-sterigmatocystin is 394.07 g/mol.
Where can I buy Demethyl-diacetyl-sterigmatocystin?
You can request a quote for Demethyl-diacetyl-sterigmatocystin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Demethyl-diacetyl-sterigmatocystin?
Yes, KEHONG BIO provides custom synthesis services for Demethyl-diacetyl-sterigmatocystin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.