9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
TL;DR: 9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione (CAS 690964-74-0) is a chemical compound with molecular formula C25H29NO7 and molecular weight 455.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
Also Known As: 9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione, 9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione, 9-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
| Molecular Formula | C25H29NO7 |
|---|---|
| Molecular Weight | 455.19 g/mol |
| LogP | 5.0993 |
| Topological Polar Surface Area | 115.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.1944 |
| Heavy Atoms | 33 |
| Complexity | 1087.6547 |
Chemical Identifiers
| CAS Number | 690964-74-0 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C2C3=C(CC(CC3=O)(C)C)OC4=C2C(=O)CC(C4)(C)C |
Product Overview
9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione (CAS 690964-74-0), with molecular formula C25H29NO7 and molecular weight 455.19 g/mol. IUPAC: 9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione.
Chemical Property Profile of 9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Property Insights of 9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
The XLogP value of 5.0993 indicates that 9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione. Following Lipinski's Rule of Five, 9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione?
The CAS number of 9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione is 690964-74-0.
What is the molecular formula of 9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione?
The molecular formula of 9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione is C25H29NO7.
What is the molecular weight of 9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione?
The molecular weight of 9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione is 455.19 g/mol.
Where can I buy 9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione?
You can request a quote for 9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3,3,6,6-tetramethyl-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-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 9-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3,3,6,6-tetramethyl-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.