9-(3-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
TL;DR: 9-(3-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione (CAS 433694-71-4) is a chemical compound with molecular formula C22H20O4 and molecular weight 348.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
Also Known As: 9-(3-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione, 9-[3-(prop-2-yn-1-yloxy)phenyl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
| Molecular Formula | C22H20O4 |
|---|---|
| Molecular Weight | 348.14 g/mol |
| LogP | 3.8266 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.13617 |
| Heavy Atoms | 26 |
| Complexity | 839.6485 |
Chemical Identifiers
| CAS Number | 433694-71-4 |
|---|---|
| SMILES | C#CCOC1=CC=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4 |
Product Overview
9-(3-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione (CAS 433694-71-4), with molecular formula C22H20O4 and molecular weight 348.14 g/mol. IUPAC: 9-(3-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione.
Chemical Property Profile of 9-(3-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
Property Insights of 9-(3-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
The XLogP value of 3.8266 indicates that 9-(3-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-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, 9-(3-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-(3-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione has 0 hydrogen bond donor(s) and 4 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 9-(3-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione?
The CAS number of 9-(3-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione is 433694-71-4.
What is the molecular formula of 9-(3-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione?
The molecular formula of 9-(3-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione is C22H20O4.
What is the molecular weight of 9-(3-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione?
The molecular weight of 9-(3-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione is 348.14 g/mol.
Where can I buy 9-(3-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione?
You can request a quote for 9-(3-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-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 9-(3-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione?
Yes, KEHONG BIO provides custom synthesis services for 9-(3-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.