1,7-Dihydroxy-3-methoxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one
TL;DR: 1,7-Dihydroxy-3-methoxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one (CAS 77741-58-3) is a chemical compound with molecular formula C19H18O5 and molecular weight 326.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,7-dihydroxy-3-methoxy-2-(3-methylbut-2-enyl)xanthen-9-one
Also Known As: 1,7-Dihydroxy-3-methoxy-2-prenylxanthone, 1,7-dihydroxy-3-methoxy-2-(3-methylbut-2-enyl)xanthen-9-one, 1,7-Dihydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one, 17-Dihydroxy-3-methoxy-2-prenylxanthone, 4CN-2424
| Molecular Formula | C19H18O5 |
|---|---|
| Molecular Weight | 326.12 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.11542 |
| Heavy Atoms | 24 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 77741-58-3 |
|---|---|
| SMILES | CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C=CC(=C3)O)OC)C |
| InChIKey | JKOMBLYQDHTFJC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,7-Dihydroxy-3-methoxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one (CAS 77741-58-3), with molecular formula C19H18O5 and molecular weight 326.12 g/mol. IUPAC: 1,7-dihydroxy-3-methoxy-2-(3-methylbut-2-enyl)xanthen-9-one.
Chemical Property Profile of 1,7-Dihydroxy-3-methoxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one
Property Insights of 1,7-Dihydroxy-3-methoxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one
The XLogP value of 4.7 indicates that 1,7-Dihydroxy-3-methoxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,7-Dihydroxy-3-methoxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one. Following Lipinski's Rule of Five, 1,7-Dihydroxy-3-methoxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one 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
Frequently Asked Questions
What is the CAS number of 1,7-Dihydroxy-3-methoxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one?
The CAS number of 1,7-Dihydroxy-3-methoxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one is 77741-58-3.
What is the molecular formula of 1,7-Dihydroxy-3-methoxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one?
The molecular formula of 1,7-Dihydroxy-3-methoxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one is C19H18O5.
What is the molecular weight of 1,7-Dihydroxy-3-methoxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one?
The molecular weight of 1,7-Dihydroxy-3-methoxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one is 326.12 g/mol.
Where can I buy 1,7-Dihydroxy-3-methoxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one?
You can request a quote for 1,7-Dihydroxy-3-methoxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,7-Dihydroxy-3-methoxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one?
Yes, KEHONG BIO provides custom synthesis services for 1,7-Dihydroxy-3-methoxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.