9-(4-Methoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
TL;DR: 9-(4-Methoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione (CAS 109399-70-4) is a chemical compound with molecular formula C20H20O4 and molecular weight 324.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-methoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
Also Known As: 9-(4-Methoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione, BAS 00641467, 9-(4-methoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione, BIM-0019210.P001, J2.309.047C
| Molecular Formula | C20H20O4 |
|---|---|
| Molecular Weight | 324.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.13617 |
| Heavy Atoms | 24 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 109399-70-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4 |
| InChIKey | GRWGJVLJPBIKNT-UHFFFAOYSA-N |
Product Overview
9-(4-Methoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione (CAS 109399-70-4), with molecular formula C20H20O4 and molecular weight 324.14 g/mol. IUPAC: 9-(4-methoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione.
Chemical Property Profile of 9-(4-Methoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Property Insights of 9-(4-Methoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-(4-Methoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione. With a topological polar surface area (TPSA) of 52.6 Ų, 9-(4-Methoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-(4-Methoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-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-(4-Methoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione?
The CAS number of 9-(4-Methoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione is 109399-70-4.
What is the molecular formula of 9-(4-Methoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione?
The molecular formula of 9-(4-Methoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione is C20H20O4.
What is the molecular weight of 9-(4-Methoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione?
The molecular weight of 9-(4-Methoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione is 324.14 g/mol.
Where can I buy 9-(4-Methoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione?
You can request a quote for 9-(4-Methoxyphenyl)-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-Methoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 9-(4-Methoxyphenyl)-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.