![9-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione structure](/static/products/5886/588672-66-6.webp)
9-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
TL;DR: 9-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione (CAS 588672-66-6) is a chemical compound with molecular formula C26H27ClN2O3 and molecular weight 450.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
Also Known As: 9-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione, 9-[3-(4-chlorophenyl)-1H-pyrazol-4-yl]-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione, 9-[3-(4-chlorophenyl)pyrazol-4-yl]-3,3,6,6-tetramethyl-2,3,4,5,6,7-hexahydroxa nthene-1,8-dione
| Molecular Formula | C26H27ClN2O3 |
|---|---|
| Molecular Weight | 450.17 g/mol |
| LogP | 6.1303 |
| Topological Polar Surface Area | 72.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 450.17102 |
| Heavy Atoms | 32 |
| Complexity | 1145.9152 |
Chemical Identifiers
| CAS Number | 588672-66-6 |
|---|---|
| SMILES | CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=C(NN=C4)C5=CC=C(C=C5)Cl)C(=O)C1)C |
Product Overview
9-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione (CAS 588672-66-6), with molecular formula C26H27ClN2O3 and molecular weight 450.17 g/mol. IUPAC: 9-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione.
Chemical Property Profile of 9-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
Property Insights of 9-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
The XLogP value of 6.1303 indicates that 9-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3,3,6,6-tetramethyl-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 72.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione. Following Lipinski's Rule of Five, 9-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione?
The CAS number of 9-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione is 588672-66-6.
What is the molecular formula of 9-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione?
The molecular formula of 9-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione is C26H27ClN2O3.
What is the molecular weight of 9-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione?
The molecular weight of 9-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione is 450.17 g/mol.
Where can I buy 9-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione?
You can request a quote for 9-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3,3,6,6-tetramethyl-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 9-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione?
Yes, KEHONG BIO provides custom synthesis services for 9-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.