![2-(4-chloro-3-nitrophenyl)-9-phenylhexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione structure](/static/products/100/1005096-87-6.png)
2-(4-chloro-3-nitrophenyl)-9-phenylhexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione
TL;DR: 2-(4-chloro-3-nitrophenyl)-9-phenylhexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione (CAS 1005096-87-6) is a chemical compound with molecular formula C20H17ClN4O4 and molecular weight 412.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chloro-3-nitrophenyl)-7-phenyl-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
Also Known As: 2-(4-chloro-3-nitrophenyl)-9-phenylhexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione, 2-(4-chloro-3-nitrophenyl)-9-phenyltetrahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H,3aH)-dione
| Molecular Formula | C20H17ClN4O4 |
|---|---|
| Molecular Weight | 412.09 g/mol |
| LogP | 2.7838 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 412.09384 |
| Heavy Atoms | 29 |
| Complexity | 1030.3962 |
Chemical Identifiers
| CAS Number | 1005096-87-6 |
|---|---|
| SMILES | C1CN2C(C3C(N2C1)C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C5=CC=CC=C5 |
Product Overview
2-(4-chloro-3-nitrophenyl)-9-phenylhexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione (CAS 1005096-87-6), with molecular formula C20H17ClN4O4 and molecular weight 412.09 g/mol. IUPAC: 4-(4-chloro-3-nitrophenyl)-7-phenyl-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione.
Chemical Property Profile of 2-(4-chloro-3-nitrophenyl)-9-phenylhexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione
Property Insights of 2-(4-chloro-3-nitrophenyl)-9-phenylhexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione
The XLogP value of 2.7838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-chloro-3-nitrophenyl)-9-phenylhexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-chloro-3-nitrophenyl)-9-phenylhexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-(4-chloro-3-nitrophenyl)-9-phenylhexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione has 0 hydrogen bond donor(s) and 6 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 2-(4-chloro-3-nitrophenyl)-9-phenylhexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione?
The CAS number of 2-(4-chloro-3-nitrophenyl)-9-phenylhexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione is 1005096-87-6.
What is the molecular formula of 2-(4-chloro-3-nitrophenyl)-9-phenylhexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione?
The molecular formula of 2-(4-chloro-3-nitrophenyl)-9-phenylhexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione is C20H17ClN4O4.
What is the molecular weight of 2-(4-chloro-3-nitrophenyl)-9-phenylhexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione?
The molecular weight of 2-(4-chloro-3-nitrophenyl)-9-phenylhexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione is 412.09 g/mol.
Where can I buy 2-(4-chloro-3-nitrophenyl)-9-phenylhexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione?
You can request a quote for 2-(4-chloro-3-nitrophenyl)-9-phenylhexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-chloro-3-nitrophenyl)-9-phenylhexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-chloro-3-nitrophenyl)-9-phenylhexahydro-1H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.