9H-Xanthen-9-one, 1-butoxy-3-methyl-
TL;DR: 9H-Xanthen-9-one, 1-butoxy-3-methyl- (CAS 127731-64-0) is a chemical compound with molecular formula C18H18O3 and molecular weight 282.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butoxy-3-methylxanthen-9-one
Also Known As: 9H-Xanthen-9-one, 1-butoxy-3-methyl-, 1-butoxy-3-methylxanthen-9-one, 1-butoxy-3-methyl-xanthen-9-one, 1-butoxy-3-methyl-9H-xanthen-9-one
| Molecular Formula | C18H18O3 |
|---|---|
| Molecular Weight | 282.13 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.12558 |
| Heavy Atoms | 21 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 127731-64-0 |
|---|---|
| SMILES | CCCCOC1=CC(=CC2=C1C(=O)C3=CC=CC=C3O2)C |
| InChIKey | WEULNFPEWAEOQO-UHFFFAOYSA-N |
Product Overview
9H-Xanthen-9-one, 1-butoxy-3-methyl- (CAS 127731-64-0), with molecular formula C18H18O3 and molecular weight 282.13 g/mol. IUPAC: 1-butoxy-3-methylxanthen-9-one.
Chemical Property Profile of 9H-Xanthen-9-one, 1-butoxy-3-methyl-
Property Insights of 9H-Xanthen-9-one, 1-butoxy-3-methyl-
The XLogP value of 4.5 indicates that 9H-Xanthen-9-one, 1-butoxy-3-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 9H-Xanthen-9-one, 1-butoxy-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9H-Xanthen-9-one, 1-butoxy-3-methyl- has 0 hydrogen bond donor(s) and 3 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 9H-Xanthen-9-one, 1-butoxy-3-methyl-?
The CAS number of 9H-Xanthen-9-one, 1-butoxy-3-methyl- is 127731-64-0.
What is the molecular formula of 9H-Xanthen-9-one, 1-butoxy-3-methyl-?
The molecular formula of 9H-Xanthen-9-one, 1-butoxy-3-methyl- is C18H18O3.
What is the molecular weight of 9H-Xanthen-9-one, 1-butoxy-3-methyl-?
The molecular weight of 9H-Xanthen-9-one, 1-butoxy-3-methyl- is 282.13 g/mol.
Where can I buy 9H-Xanthen-9-one, 1-butoxy-3-methyl-?
You can request a quote for 9H-Xanthen-9-one, 1-butoxy-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-Xanthen-9-one, 1-butoxy-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 9H-Xanthen-9-one, 1-butoxy-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.