3-Hydroxyscopoletin
TL;DR: 3-Hydroxyscopoletin (CAS 127861-47-6) is a chemical compound with molecular formula C10H8O5 and molecular weight 208.03717 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,7-dihydroxy-6-methoxychromen-2-one
Also Known As: 3-Hydroxyscopoletin, 3,7-dihydroxy-6-methoxychromen-2-one, 3,7-dihydroxy-6-methoxy-coumarin, 3,7-dihydroxy-6-methoxy-2H-chromen-2-one, 2H-1-Benzopyran-2-one, 3,7-dihydroxy-6-methoxy-
Technical Specifications
| Molecular Formula | C10H8O5 |
| Molecular Weight | 208.03717 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.03717 Da |
| Heavy Atoms | 15 |
| Complexity | 298.0 |
| SMILES | COC1=C(C=C2C(=C1)C=C(C(=O)O2)O)O |
| InChIKey | OYTFXDXDHQVNQJ-UHFFFAOYSA-N |
Chemical Property Profile of 3-Hydroxyscopoletin
Property Insights of 3-Hydroxyscopoletin
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxyscopoletin. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxyscopoletin. Following Lipinski's Rule of Five, 3-Hydroxyscopoletin has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Hydroxyscopoletin?
The CAS number of 3-Hydroxyscopoletin is 127861-47-6.
What is the molecular formula of 3-Hydroxyscopoletin?
The molecular formula of 3-Hydroxyscopoletin is C10H8O5.
What is the molecular weight of 3-Hydroxyscopoletin?
The molecular weight of 3-Hydroxyscopoletin is 208.03717 g/mol.
Where can I buy 3-Hydroxyscopoletin?
You can request a quote for 3-Hydroxyscopoletin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Hydroxyscopoletin?
Yes, CoreyChem provides custom synthesis services for 3-Hydroxyscopoletin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.