9H-Xanthen-9-one, 1-(octyloxy)-
TL;DR: 9H-Xanthen-9-one, 1-(octyloxy)- (CAS 127731-68-4) is a chemical compound with molecular formula C21H24O3 and molecular weight 324.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-octoxyxanthen-9-one
Also Known As: 1-octoxyxanthen-9-one, 9H-Xanthen-9-one, 1-(octyloxy)-, 1-(Octyloxy)-9H-xanthen-9-one, 4-Benzyloxy-2-hydroxy-3-iodo-6-methyl-benzoic acid methyl ester
| Molecular Formula | C21H24O3 |
|---|---|
| Molecular Weight | 324.17 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 324.17255 |
| Heavy Atoms | 24 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 127731-68-4 |
|---|---|
| SMILES | CCCCCCCCOC1=CC=CC2=C1C(=O)C3=CC=CC=C3O2 |
| InChIKey | LQMQTFHVJDJRJR-UHFFFAOYSA-N |
Product Overview
9H-Xanthen-9-one, 1-(octyloxy)- (CAS 127731-68-4), with molecular formula C21H24O3 and molecular weight 324.17 g/mol. IUPAC: 1-octoxyxanthen-9-one.
Chemical Property Profile of 9H-Xanthen-9-one, 1-(octyloxy)-
Property Insights of 9H-Xanthen-9-one, 1-(octyloxy)-
The XLogP value of 6.4 indicates that 9H-Xanthen-9-one, 1-(octyloxy)- 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-(octyloxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9H-Xanthen-9-one, 1-(octyloxy)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9H-Xanthen-9-one, 1-(octyloxy)-?
The CAS number of 9H-Xanthen-9-one, 1-(octyloxy)- is 127731-68-4.
What is the molecular formula of 9H-Xanthen-9-one, 1-(octyloxy)-?
The molecular formula of 9H-Xanthen-9-one, 1-(octyloxy)- is C21H24O3.
What is the molecular weight of 9H-Xanthen-9-one, 1-(octyloxy)-?
The molecular weight of 9H-Xanthen-9-one, 1-(octyloxy)- is 324.17 g/mol.
Where can I buy 9H-Xanthen-9-one, 1-(octyloxy)-?
You can request a quote for 9H-Xanthen-9-one, 1-(octyloxy)- 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-(octyloxy)-?
Yes, KEHONG BIO provides custom synthesis services for 9H-Xanthen-9-one, 1-(octyloxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.