4,7-二甲氧基-5-甲基香豆素
TL;DR: 4,7-二甲氧基-5-甲基香豆素 (CAS 5879-57-2) is a chemical compound with molecular formula C12H12O4 and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-二甲氧基-5-甲基香豆素
4,7-dimethoxy-5-methylchromen-2-one
Also Known As: siderin, Siderine, 4,7-dimethoxy-5-methylcoumarin, 4,7-dimethoxy-5-methylchromen-2-one, 2H-1-Benzopyran-2-one, 4,7-dimethoxy-5-methyl-
| Molecular Formula | C12H12O4 |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.07356 |
| Heavy Atoms | 16 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 5879-57-2 |
|---|---|
| SMILES | CC1=CC(=CC2=C1C(=CC(=O)O2)OC)OC |
| InChIKey | LLTOPKQGFAAMKH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,7-二甲氧基-5-甲基香豆素 (CAS 5879-57-2), with molecular formula C12H12O4 and molecular weight 220.07 g/mol. IUPAC: 4,7-dimethoxy-5-methylchromen-2-one.
Chemical Property Profile of 4,7-二甲氧基-5-甲基香豆素
Property Insights of 4,7-二甲氧基-5-甲基香豆素
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7-二甲氧基-5-甲基香豆素. With a topological polar surface area (TPSA) of 44.8 Ų, 4,7-二甲氧基-5-甲基香豆素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,7-二甲氧基-5-甲基香豆素 has 0 hydrogen bond donor(s) and 4 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 4,7-二甲氧基-5-甲基香豆素?
The CAS number of 4,7-二甲氧基-5-甲基香豆素 is 5879-57-2.
What is the molecular formula of 4,7-二甲氧基-5-甲基香豆素?
The molecular formula of 4,7-二甲氧基-5-甲基香豆素 is C12H12O4.
What is the molecular weight of 4,7-二甲氧基-5-甲基香豆素?
The molecular weight of 4,7-二甲氧基-5-甲基香豆素 is 220.07 g/mol.
Where can I buy 4,7-二甲氧基-5-甲基香豆素?
You can request a quote for 4,7-二甲氧基-5-甲基香豆素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7-二甲氧基-5-甲基香豆素?
Yes, KEHONG BIO provides custom synthesis services for 4,7-二甲氧基-5-甲基香豆素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.