9-(4-hydroxy-3-methoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
TL;DR: 9-(4-hydroxy-3-methoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione (CAS 102159-41-1) is a chemical compound with molecular formula C20H20O5 and molecular weight 340.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-hydroxy-3-methoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione
Also Known As: ChemDiv1_001049, 9-(4-hydroxy-3-methoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione, J2.309.048A, 9-(4-HYDROXY-3-METHOXYPHENYL)-2,3,4,5,6,7,8,9-OCTAHYDRO-1H-XANTHENE-1,8-DIONE, 9-(4-hydroxy-3-methoxyphenyl)-2,3,4,5,6,7-hexahydroxanthene-1,8-dione
| Molecular Formula | C20H20O5 |
|---|---|
| Molecular Weight | 340.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.13107 |
| Heavy Atoms | 25 |
| Complexity | 617.0 |
Chemical Identifiers
| CAS Number | 102159-41-1 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)O |
| InChIKey | UMPROAWIQHDPNU-UHFFFAOYSA-N |
Product Overview
9-(4-hydroxy-3-methoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione (CAS 102159-41-1), with molecular formula C20H20O5 and molecular weight 340.13 g/mol. IUPAC: 9-(4-hydroxy-3-methoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione.
Chemical Property Profile of 9-(4-hydroxy-3-methoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Property Insights of 9-(4-hydroxy-3-methoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-(4-hydroxy-3-methoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(4-hydroxy-3-methoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione. Following Lipinski's Rule of Five, 9-(4-hydroxy-3-methoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione has 1 hydrogen bond donor(s) and 5 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-hydroxy-3-methoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione?
The CAS number of 9-(4-hydroxy-3-methoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione is 102159-41-1.
What is the molecular formula of 9-(4-hydroxy-3-methoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione?
The molecular formula of 9-(4-hydroxy-3-methoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione is C20H20O5.
What is the molecular weight of 9-(4-hydroxy-3-methoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione?
The molecular weight of 9-(4-hydroxy-3-methoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione is 340.13 g/mol.
Where can I buy 9-(4-hydroxy-3-methoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione?
You can request a quote for 9-(4-hydroxy-3-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-hydroxy-3-methoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 9-(4-hydroxy-3-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.