5-Methoxysterigmatocystin
TL;DR: 5-Methoxysterigmatocystin (CAS 22897-08-1) 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.
(3S,7R)-15-hydroxy-11,18-dimethoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,4,9,11,14,16,18-heptaen-13-one
Also Known As: 5-Methoxysterigmatocystin, 5-Methoxysterigmatocysin, 5-Methoxysterigmatoc, 5-MS, Methoxysterigmatocystin
| Molecular Formula | C19H14O7 |
|---|---|
| Molecular Weight | 354.07 g/mol |
| LogP | 3.015 |
| Topological Polar Surface Area | 87.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.07394 |
| Heavy Atoms | 26 |
| Complexity | 1158.4496 |
Chemical Identifiers
| CAS Number | 22897-08-1 |
|---|---|
| SMILES | COC1=C2C(=C(C=C1)O)C(=O)C3=C(C=C4C(=C3O2)[C@@H]5C=CO[C@@H]5O4)OC |
Product Overview
5-Methoxysterigmatocystin (CAS 22897-08-1), with molecular formula C19H14O7 and molecular weight 354.07 g/mol. IUPAC: (3S,7R)-15-hydroxy-11,18-dimethoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,4,9,11,14,16,18-heptaen-13-one.
Chemical Property Profile of 5-Methoxysterigmatocystin
Property Insights of 5-Methoxysterigmatocystin
The XLogP value of 3.015 indicates that 5-Methoxysterigmatocystin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methoxysterigmatocystin. Following Lipinski's Rule of Five, 5-Methoxysterigmatocystin 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 5-Methoxysterigmatocystin?
The CAS number of 5-Methoxysterigmatocystin is 22897-08-1.
What is the molecular formula of 5-Methoxysterigmatocystin?
The molecular formula of 5-Methoxysterigmatocystin is C19H14O7.
What is the molecular weight of 5-Methoxysterigmatocystin?
The molecular weight of 5-Methoxysterigmatocystin is 354.07 g/mol.
Where can I buy 5-Methoxysterigmatocystin?
You can request a quote for 5-Methoxysterigmatocystin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methoxysterigmatocystin?
Yes, KEHONG BIO provides custom synthesis services for 5-Methoxysterigmatocystin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.