9-(4-((2-fluorobenzyl)oxy)-3-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
TL;DR: 9-(4-((2-fluorobenzyl)oxy)-3-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione (CAS 684238-27-5) is a chemical compound with molecular formula C31H33FO5 and molecular weight 504.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
Also Known As: 9-(4-((2-fluorobenzyl)oxy)-3-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione, 9-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione, 9-{4-[(2-fluorobenzyl)oxy]-3-methoxyphenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione, 9-{4-[(2-FLUOROPHENYL)METHOXY]-3-METHOXYPHENYL}-3,3,6,6-TETRAMETHYL-2,3,4,5,6,7,8,9-OCTAHYDRO-1H-XANTHENE-1,8-DIONE
| Molecular Formula | C31H33FO5 |
|---|---|
| Molecular Weight | 504.23 g/mol |
| LogP | 6.8135 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 504.2312 |
| Heavy Atoms | 37 |
| Complexity | 1295.1171 |
Chemical Identifiers
| CAS Number | 684238-27-5 |
|---|---|
| SMILES | CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=C(C=C4)OCC5=CC=CC=C5F)OC)C(=O)C1)C |
Product Overview
9-(4-((2-fluorobenzyl)oxy)-3-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione (CAS 684238-27-5), with molecular formula C31H33FO5 and molecular weight 504.23 g/mol. IUPAC: 9-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione.
Chemical Property Profile of 9-(4-((2-fluorobenzyl)oxy)-3-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Property Insights of 9-(4-((2-fluorobenzyl)oxy)-3-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
The XLogP value of 6.8135 indicates that 9-(4-((2-fluorobenzyl)oxy)-3-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(4-((2-fluorobenzyl)oxy)-3-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione. Following Lipinski's Rule of Five, 9-(4-((2-fluorobenzyl)oxy)-3-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9-(4-((2-fluorobenzyl)oxy)-3-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione?
The CAS number of 9-(4-((2-fluorobenzyl)oxy)-3-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione is 684238-27-5.
What is the molecular formula of 9-(4-((2-fluorobenzyl)oxy)-3-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione?
The molecular formula of 9-(4-((2-fluorobenzyl)oxy)-3-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione is C31H33FO5.
What is the molecular weight of 9-(4-((2-fluorobenzyl)oxy)-3-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione?
The molecular weight of 9-(4-((2-fluorobenzyl)oxy)-3-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione is 504.23 g/mol.
Where can I buy 9-(4-((2-fluorobenzyl)oxy)-3-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione?
You can request a quote for 9-(4-((2-fluorobenzyl)oxy)-3-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(4-((2-fluorobenzyl)oxy)-3-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 9-(4-((2-fluorobenzyl)oxy)-3-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.