![(3bS,4aR)-3,4,4-trimethyl-1-((4-nitrophenyl)sulfonyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole structure](/static/products/448/448206-61-9.png)
(3bS,4aR)-3,4,4-trimethyl-1-((4-nitrophenyl)sulfonyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole
TL;DR: (3bS,4aR)-3,4,4-trimethyl-1-((4-nitrophenyl)sulfonyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole (CAS 448206-61-9) is a chemical compound with molecular formula C16H17N3O4S and molecular weight 347.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4R)-3,3,9-trimethyl-7-(4-nitrophenyl)sulfonyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene
Also Known As: (3bS,4aR)-3,4,4-trimethyl-1-((4-nitrophenyl)sulfonyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole, (3bS,4aR)-3,4,4-trimethyl-1-[(4-nitrophenyl)sulfonyl]-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole
| Molecular Formula | C16H17N3O4S |
|---|---|
| Molecular Weight | 347.09 g/mol |
| LogP | 2.63242 |
| Topological Polar Surface Area | 95.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.09396 |
| Heavy Atoms | 24 |
| Complexity | 973.49664 |
Chemical Identifiers
| CAS Number | 448206-61-9 |
|---|---|
| SMILES | CC1=NN(C2=C1[C@H]3[C@@H](C2)C3(C)C)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
(3bS,4aR)-3,4,4-trimethyl-1-((4-nitrophenyl)sulfonyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole (CAS 448206-61-9), with molecular formula C16H17N3O4S and molecular weight 347.09 g/mol. IUPAC: (2S,4R)-3,3,9-trimethyl-7-(4-nitrophenyl)sulfonyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene.
Chemical Property Profile of (3bS,4aR)-3,4,4-trimethyl-1-((4-nitrophenyl)sulfonyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole
Property Insights of (3bS,4aR)-3,4,4-trimethyl-1-((4-nitrophenyl)sulfonyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole
The XLogP value of 2.63242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3bS,4aR)-3,4,4-trimethyl-1-((4-nitrophenyl)sulfonyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (3bS,4aR)-3,4,4-trimethyl-1-((4-nitrophenyl)sulfonyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole. Following Lipinski's Rule of Five, (3bS,4aR)-3,4,4-trimethyl-1-((4-nitrophenyl)sulfonyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole 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 (3bS,4aR)-3,4,4-trimethyl-1-((4-nitrophenyl)sulfonyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole?
The CAS number of (3bS,4aR)-3,4,4-trimethyl-1-((4-nitrophenyl)sulfonyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole is 448206-61-9.
What is the molecular formula of (3bS,4aR)-3,4,4-trimethyl-1-((4-nitrophenyl)sulfonyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole?
The molecular formula of (3bS,4aR)-3,4,4-trimethyl-1-((4-nitrophenyl)sulfonyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole is C16H17N3O4S.
What is the molecular weight of (3bS,4aR)-3,4,4-trimethyl-1-((4-nitrophenyl)sulfonyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole?
The molecular weight of (3bS,4aR)-3,4,4-trimethyl-1-((4-nitrophenyl)sulfonyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole is 347.09 g/mol.
Where can I buy (3bS,4aR)-3,4,4-trimethyl-1-((4-nitrophenyl)sulfonyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole?
You can request a quote for (3bS,4aR)-3,4,4-trimethyl-1-((4-nitrophenyl)sulfonyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3bS,4aR)-3,4,4-trimethyl-1-((4-nitrophenyl)sulfonyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole?
Yes, KEHONG BIO provides custom synthesis services for (3bS,4aR)-3,4,4-trimethyl-1-((4-nitrophenyl)sulfonyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.