9-(4-methoxy-3-((4-nitro-1H-pyrazol-1-yl)methyl)phenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
TL;DR: 9-(4-methoxy-3-((4-nitro-1H-pyrazol-1-yl)methyl)phenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione (CAS 404920-37-2) is a chemical compound with molecular formula C28H31N3O6 and molecular weight 505.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
Also Known As: 9-(4-methoxy-3-((4-nitro-1H-pyrazol-1-yl)methyl)phenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione, 9-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione, 9-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
| Molecular Formula | C28H31N3O6 |
|---|---|
| Molecular Weight | 505.22 g/mol |
| LogP | 5.2484 |
| Topological Polar Surface Area | 113.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 505.22128 |
| Heavy Atoms | 37 |
| Complexity | 1342.2628 |
Chemical Identifiers
| CAS Number | 404920-37-2 |
|---|---|
| SMILES | CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=C(C=C4)OC)CN5C=C(C=N5)[N+](=O)[O-])C(=O)C1)C |
Product Overview
9-(4-methoxy-3-((4-nitro-1H-pyrazol-1-yl)methyl)phenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione (CAS 404920-37-2), with molecular formula C28H31N3O6 and molecular weight 505.22 g/mol. IUPAC: 9-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione.
Chemical Property Profile of 9-(4-methoxy-3-((4-nitro-1H-pyrazol-1-yl)methyl)phenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Property Insights of 9-(4-methoxy-3-((4-nitro-1H-pyrazol-1-yl)methyl)phenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
The XLogP value of 5.2484 indicates that 9-(4-methoxy-3-((4-nitro-1H-pyrazol-1-yl)methyl)phenyl)-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 113.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(4-methoxy-3-((4-nitro-1H-pyrazol-1-yl)methyl)phenyl)-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-(4-methoxy-3-((4-nitro-1H-pyrazol-1-yl)methyl)phenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione has 0 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-(4-methoxy-3-((4-nitro-1H-pyrazol-1-yl)methyl)phenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione?
The CAS number of 9-(4-methoxy-3-((4-nitro-1H-pyrazol-1-yl)methyl)phenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione is 404920-37-2.
What is the molecular formula of 9-(4-methoxy-3-((4-nitro-1H-pyrazol-1-yl)methyl)phenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione?
The molecular formula of 9-(4-methoxy-3-((4-nitro-1H-pyrazol-1-yl)methyl)phenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione is C28H31N3O6.
What is the molecular weight of 9-(4-methoxy-3-((4-nitro-1H-pyrazol-1-yl)methyl)phenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione?
The molecular weight of 9-(4-methoxy-3-((4-nitro-1H-pyrazol-1-yl)methyl)phenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione is 505.22 g/mol.
Where can I buy 9-(4-methoxy-3-((4-nitro-1H-pyrazol-1-yl)methyl)phenyl)-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-(4-methoxy-3-((4-nitro-1H-pyrazol-1-yl)methyl)phenyl)-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-(4-methoxy-3-((4-nitro-1H-pyrazol-1-yl)methyl)phenyl)-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-(4-methoxy-3-((4-nitro-1H-pyrazol-1-yl)methyl)phenyl)-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.