3,3,6,6-tetramethyl-9-(2-nitrophenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
TL;DR: 3,3,6,6-tetramethyl-9-(2-nitrophenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione (CAS 30038-64-3) is a chemical compound with molecular formula C23H25NO5 and molecular weight 395.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,6,6-tetramethyl-9-(2-nitrophenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
Also Known As: J1.194.999A, 3,3,6,6-tetramethyl-9-(2-nitrophenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione, 3,3,6,6-Tetramethyl-9-(2-nitrophenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione, 3,3,6,6-tetramethyl-9-(2-nitrophenyl)-4,5,7,9-tetrahydro-2H-, 1,2,3,4,5,6,7,8-Octahydro-3,3,6,6-tetramethyl-9-(2-nitrophenyl)-9H-xanthene-1,8-dione
| Molecular Formula | C23H25NO5 |
|---|---|
| Molecular Weight | 395.17 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 89.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 395.17328 |
| Heavy Atoms | 29 |
| Complexity | 790.0 |
Chemical Identifiers
| CAS Number | 30038-64-3 |
|---|---|
| SMILES | CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC=CC=C4[N+](=O)[O-])C(=O)C1)C |
| InChIKey | ISKQVKRZTJNKOI-UHFFFAOYSA-N |
Product Overview
3,3,6,6-tetramethyl-9-(2-nitrophenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione (CAS 30038-64-3), with molecular formula C23H25NO5 and molecular weight 395.17 g/mol. IUPAC: 3,3,6,6-tetramethyl-9-(2-nitrophenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione.
Chemical Property Profile of 3,3,6,6-tetramethyl-9-(2-nitrophenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
Property Insights of 3,3,6,6-tetramethyl-9-(2-nitrophenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
The XLogP value of 3.8 indicates that 3,3,6,6-tetramethyl-9-(2-nitrophenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3,6,6-tetramethyl-9-(2-nitrophenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione. Following Lipinski's Rule of Five, 3,3,6,6-tetramethyl-9-(2-nitrophenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione has 0 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 3,3,6,6-tetramethyl-9-(2-nitrophenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione?
The CAS number of 3,3,6,6-tetramethyl-9-(2-nitrophenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione is 30038-64-3.
What is the molecular formula of 3,3,6,6-tetramethyl-9-(2-nitrophenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione?
The molecular formula of 3,3,6,6-tetramethyl-9-(2-nitrophenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione is C23H25NO5.
What is the molecular weight of 3,3,6,6-tetramethyl-9-(2-nitrophenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione?
The molecular weight of 3,3,6,6-tetramethyl-9-(2-nitrophenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione is 395.17 g/mol.
Where can I buy 3,3,6,6-tetramethyl-9-(2-nitrophenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione?
You can request a quote for 3,3,6,6-tetramethyl-9-(2-nitrophenyl)-4,5,7,9-tetrahydro-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 3,3,6,6-tetramethyl-9-(2-nitrophenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,3,6,6-tetramethyl-9-(2-nitrophenyl)-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.