methyl 4-(((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)methyl)benzoate
TL;DR: methyl 4-(((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)methyl)benzoate (CAS 864752-84-1) is a chemical compound with molecular formula C23H18O6 and molecular weight 390.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(1-hydroxy-5-methyl-9-oxoxanthen-3-yl)oxymethyl]benzoate
Also Known As: methyl 4-(((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)methyl)benzoate, methyl 4-[(1-hydroxy-5-methyl-9-oxoxanthen-3-yl)oxymethyl]benzoate, methyl 4-{[(1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy]methyl}benzoate
| Molecular Formula | C23H18O6 |
|---|---|
| Molecular Weight | 390.11 g/mol |
| LogP | 4.32582 |
| Topological Polar Surface Area | 85.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.11035 |
| Heavy Atoms | 29 |
| Complexity | 1284.9976 |
Chemical Identifiers
| CAS Number | 864752-84-1 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C(=O)C3=C(C=C(C=C3O2)OCC4=CC=C(C=C4)C(=O)OC)O |
Product Overview
methyl 4-(((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)methyl)benzoate (CAS 864752-84-1), with molecular formula C23H18O6 and molecular weight 390.11 g/mol. IUPAC: methyl 4-[(1-hydroxy-5-methyl-9-oxoxanthen-3-yl)oxymethyl]benzoate.
Chemical Property Profile of methyl 4-(((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)methyl)benzoate
Property Insights of methyl 4-(((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)methyl)benzoate
The XLogP value of 4.32582 indicates that methyl 4-(((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)methyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.97 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)methyl)benzoate. Following Lipinski's Rule of Five, methyl 4-(((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)methyl)benzoate has 1 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 methyl 4-(((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)methyl)benzoate?
The CAS number of methyl 4-(((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)methyl)benzoate is 864752-84-1.
What is the molecular formula of methyl 4-(((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)methyl)benzoate?
The molecular formula of methyl 4-(((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)methyl)benzoate is C23H18O6.
What is the molecular weight of methyl 4-(((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)methyl)benzoate?
The molecular weight of methyl 4-(((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)methyl)benzoate is 390.11 g/mol.
Where can I buy methyl 4-(((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)methyl)benzoate?
You can request a quote for methyl 4-(((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)methyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(((1-hydroxy-5-methyl-9-oxo-9H-xanthen-3-yl)oxy)methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.