3,3,6,6-tetramethyl-9-(4-prop-2-ynoxyphenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
TL;DR: 3,3,6,6-tetramethyl-9-(4-prop-2-ynoxyphenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione (CAS 433697-28-0) is a chemical compound with molecular formula C26H28O4 and molecular weight 404.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,6,6-tetramethyl-9-(4-prop-2-ynoxyphenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
Also Known As: 3,3,6,6-tetramethyl-9-(4-prop-2-ynoxyphenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione, 3,3,6,6-tetramethyl-9-[4-(prop-2-yn-1-yloxy)phenyl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
| Molecular Formula | C26H28O4 |
|---|---|
| Molecular Weight | 404.20 g/mol |
| LogP | 5.0988 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.19876 |
| Heavy Atoms | 30 |
| Complexity | 960.10846 |
Chemical Identifiers
| CAS Number | 433697-28-0 |
|---|---|
| SMILES | CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC=C(C=C4)OCC#C)C(=O)C1)C |
Product Overview
3,3,6,6-tetramethyl-9-(4-prop-2-ynoxyphenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione (CAS 433697-28-0), with molecular formula C26H28O4 and molecular weight 404.20 g/mol. IUPAC: 3,3,6,6-tetramethyl-9-(4-prop-2-ynoxyphenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione.
Chemical Property Profile of 3,3,6,6-tetramethyl-9-(4-prop-2-ynoxyphenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
Property Insights of 3,3,6,6-tetramethyl-9-(4-prop-2-ynoxyphenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
The XLogP value of 5.0988 indicates that 3,3,6,6-tetramethyl-9-(4-prop-2-ynoxyphenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 3,3,6,6-tetramethyl-9-(4-prop-2-ynoxyphenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,6,6-tetramethyl-9-(4-prop-2-ynoxyphenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3,6,6-tetramethyl-9-(4-prop-2-ynoxyphenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione?
The CAS number of 3,3,6,6-tetramethyl-9-(4-prop-2-ynoxyphenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione is 433697-28-0.
What is the molecular formula of 3,3,6,6-tetramethyl-9-(4-prop-2-ynoxyphenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione?
The molecular formula of 3,3,6,6-tetramethyl-9-(4-prop-2-ynoxyphenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione is C26H28O4.
What is the molecular weight of 3,3,6,6-tetramethyl-9-(4-prop-2-ynoxyphenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione?
The molecular weight of 3,3,6,6-tetramethyl-9-(4-prop-2-ynoxyphenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione is 404.20 g/mol.
Where can I buy 3,3,6,6-tetramethyl-9-(4-prop-2-ynoxyphenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione?
You can request a quote for 3,3,6,6-tetramethyl-9-(4-prop-2-ynoxyphenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,6,6-tetramethyl-9-(4-prop-2-ynoxyphenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,3,6,6-tetramethyl-9-(4-prop-2-ynoxyphenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.