De-O-methyldihydrosterigmatocystin
TL;DR: De-O-methyldihydrosterigmatocystin (CAS 30517-66-9) is a chemical compound with molecular formula C17H12O6 and molecular weight 312.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11,15-dihydroxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1(12),2(9),10,14,16,18-hexaen-13-one
Also Known As: Dihydrodemethylsterigmatocystin, DHDMST, Demethyldihydrosterigmatocystin, De-O-methyldihydrosterigmatocystin, 7H-Furo(3',2':4,5)furo(2,3-c)xanthen-7-one, 1,2,3a,12c-tetrahydro-6,8-dihydroxy-, (-)-
| Molecular Formula | C17H12O6 |
|---|---|
| Molecular Weight | 312.06 g/mol |
| LogP | 2.5798 |
| Topological Polar Surface Area | 89.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 312.0634 |
| Heavy Atoms | 23 |
| Complexity | 1034.8435 |
Chemical Identifiers
| CAS Number | 30517-66-9 |
|---|---|
| SMILES | C1COC2C1C3=C(O2)C=C(C4=C3OC5=CC=CC(=C5C4=O)O)O |
Product Overview
De-O-methyldihydrosterigmatocystin (CAS 30517-66-9), with molecular formula C17H12O6 and molecular weight 312.06 g/mol. IUPAC: 11,15-dihydroxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1(12),2(9),10,14,16,18-hexaen-13-one.
Chemical Property Profile of De-O-methyldihydrosterigmatocystin
Property Insights of De-O-methyldihydrosterigmatocystin
The XLogP value of 2.5798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for De-O-methyldihydrosterigmatocystin. The TPSA of 89.13 Ų falls within the moderate polarity range, balancing permeability and solubility for De-O-methyldihydrosterigmatocystin. Following Lipinski's Rule of Five, De-O-methyldihydrosterigmatocystin 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 De-O-methyldihydrosterigmatocystin?
The CAS number of De-O-methyldihydrosterigmatocystin is 30517-66-9.
What is the molecular formula of De-O-methyldihydrosterigmatocystin?
The molecular formula of De-O-methyldihydrosterigmatocystin is C17H12O6.
What is the molecular weight of De-O-methyldihydrosterigmatocystin?
The molecular weight of De-O-methyldihydrosterigmatocystin is 312.06 g/mol.
Where can I buy De-O-methyldihydrosterigmatocystin?
You can request a quote for De-O-methyldihydrosterigmatocystin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for De-O-methyldihydrosterigmatocystin?
Yes, KEHONG BIO provides custom synthesis services for De-O-methyldihydrosterigmatocystin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.