9-(5-chloro-2-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
TL;DR: 9-(5-chloro-2-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione (CAS 433689-51-1) is a chemical compound with molecular formula C22H19ClO4 and molecular weight 382.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(5-chloro-2-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
Also Known As: 9-(5-chloro-2-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione, 9-[5-chloro-2-(prop-2-yn-1-yloxy)phenyl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione, 9-(5-chloro-2-prop-2-ynyloxyphenyl)-2,3,4,5,6,7-hexahydroxanthene-1,8-dione, 9-[5-CHLORO-2-(PROP-2-YN-1-YLOXY)PHENYL]-3,4,5,6,7,9-HEXAHYDRO-2H-XANTHENE-1,8-DIONE
| Molecular Formula | C22H19ClO4 |
|---|---|
| Molecular Weight | 382.10 g/mol |
| LogP | 4.48 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 382.0972 |
| Heavy Atoms | 27 |
| Complexity | 890.12146 |
Chemical Identifiers
| CAS Number | 433689-51-1 |
|---|---|
| SMILES | C#CCOC1=C(C=C(C=C1)Cl)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4 |
Product Overview
9-(5-chloro-2-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione (CAS 433689-51-1), with molecular formula C22H19ClO4 and molecular weight 382.10 g/mol. IUPAC: 9-(5-chloro-2-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione.
Chemical Property Profile of 9-(5-chloro-2-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
Property Insights of 9-(5-chloro-2-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
The XLogP value of 4.48 indicates that 9-(5-chloro-2-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-(5-chloro-2-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-(5-chloro-2-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-(5-chloro-2-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione?
The CAS number of 9-(5-chloro-2-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione is 433689-51-1.
What is the molecular formula of 9-(5-chloro-2-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione?
The molecular formula of 9-(5-chloro-2-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione is C22H19ClO4.
What is the molecular weight of 9-(5-chloro-2-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione?
The molecular weight of 9-(5-chloro-2-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione is 382.10 g/mol.
Where can I buy 9-(5-chloro-2-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione?
You can request a quote for 9-(5-chloro-2-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-(5-chloro-2-prop-2-ynoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione?
Yes, KEHONG BIO provides custom synthesis services for 9-(5-chloro-2-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.