1-hydroxy-O-methylsterigmatocystin
TL;DR: 1-hydroxy-O-methylsterigmatocystin (CAS 20797-80-2) is a chemical compound with molecular formula C19H14O7 and molecular weight 354.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-11,15-dimethoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,4,9,11,14(19),15,17-heptaen-13-one
Also Known As: Aspertoxin, HOMST, 1-Hydroxy-O-methylsterigmatocystin, 12c-Hydroxy-6,8-dimethoxy-3a,12c-dihydro-7H-furo(3',2':4,5)furo(2,3-c)xanthen-7-one, 7H-Furo[3',2':4,5]furo[2,3-c]xanthen-7-one, 3a,12c-dihydro-12c-hydroxy-6,8-dimethoxy-
| Molecular Formula | C19H14O7 |
|---|---|
| Molecular Weight | 354.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.07394 |
| Heavy Atoms | 26 |
| Complexity | 621.0 |
Chemical Identifiers
| CAS Number | 20797-80-2 |
|---|---|
| SMILES | COC1=CC=CC2=C1C(=O)C3=C(C=C4C(=C3O2)C5(C=COC5O4)O)OC |
| InChIKey | QRARGUIFAGCOOA-UHFFFAOYSA-N |
Product Overview
1-hydroxy-O-methylsterigmatocystin (CAS 20797-80-2), with molecular formula C19H14O7 and molecular weight 354.07 g/mol. IUPAC: 3-hydroxy-11,15-dimethoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,4,9,11,14(19),15,17-heptaen-13-one.
Chemical Property Profile of 1-hydroxy-O-methylsterigmatocystin
Property Insights of 1-hydroxy-O-methylsterigmatocystin
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-hydroxy-O-methylsterigmatocystin. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-hydroxy-O-methylsterigmatocystin. Following Lipinski's Rule of Five, 1-hydroxy-O-methylsterigmatocystin has 1 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 1-hydroxy-O-methylsterigmatocystin?
The CAS number of 1-hydroxy-O-methylsterigmatocystin is 20797-80-2.
What is the molecular formula of 1-hydroxy-O-methylsterigmatocystin?
The molecular formula of 1-hydroxy-O-methylsterigmatocystin is C19H14O7.
What is the molecular weight of 1-hydroxy-O-methylsterigmatocystin?
The molecular weight of 1-hydroxy-O-methylsterigmatocystin is 354.07 g/mol.
Where can I buy 1-hydroxy-O-methylsterigmatocystin?
You can request a quote for 1-hydroxy-O-methylsterigmatocystin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-hydroxy-O-methylsterigmatocystin?
Yes, KEHONG BIO provides custom synthesis services for 1-hydroxy-O-methylsterigmatocystin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.