O-Methylsterigmatocystin
TL;DR: O-Methylsterigmatocystin (CAS 17878-69-2) is a chemical compound with molecular formula C19H14O6 and molecular weight 338.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,7R)-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: O-Methylsterigmatocystin, O-Methyl sterigmatocystin, 8-O-Methylsterigmatocystin, OMST, 7-O-Methylsterigmatocystin
| Molecular Formula | C19H14O6 |
|---|---|
| Molecular Weight | 338.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.07904 |
| Heavy Atoms | 25 |
| Complexity | 576.0 |
Chemical Identifiers
| CAS Number | 17878-69-2 |
|---|---|
| SMILES | COC1=CC=CC2=C1C(=O)C3=C(C=C4C(=C3O2)[C@@H]5C=CO[C@@H]5O4)OC |
| InChIKey | JKUJKKGMOZDDJV-ZRNGKTOUSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O-Methylsterigmatocystin (CAS 17878-69-2), with molecular formula C19H14O6 and molecular weight 338.08 g/mol. IUPAC: (3S,7R)-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 O-Methylsterigmatocystin
Property Insights of O-Methylsterigmatocystin
The XLogP value of 3.1 indicates that O-Methylsterigmatocystin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for O-Methylsterigmatocystin. Following Lipinski's Rule of Five, O-Methylsterigmatocystin has 0 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 O-Methylsterigmatocystin?
The CAS number of O-Methylsterigmatocystin is 17878-69-2.
What is the molecular formula of O-Methylsterigmatocystin?
The molecular formula of O-Methylsterigmatocystin is C19H14O6.
What is the molecular weight of O-Methylsterigmatocystin?
The molecular weight of O-Methylsterigmatocystin is 338.08 g/mol.
Where can I buy O-Methylsterigmatocystin?
You can request a quote for O-Methylsterigmatocystin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Methylsterigmatocystin?
Yes, KEHONG BIO provides custom synthesis services for O-Methylsterigmatocystin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.