![3-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbonyl)-9H-thioxanthen-9-one 10,10-dioxide structure](/static/products/956/956385-06-1.png)
3-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbonyl)-9H-thioxanthen-9-one 10,10-dioxide
TL;DR: 3-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbonyl)-9H-thioxanthen-9-one 10,10-dioxide (CAS 956385-06-1) is a chemical compound with molecular formula C24H20N2O4S and molecular weight 432.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10,10-dioxo-3-[(2S,4R)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-7-carbonyl]thioxanthen-9-one
Also Known As: 3-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbonyl)-9H-thioxanthen-9-one 10,10-dioxide, 3-{[(3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]carbonyl}-9H-thioxanthen-9-one 10,10-dioxide
| Molecular Formula | C24H20N2O4S |
|---|---|
| Molecular Weight | 432.11 g/mol |
| LogP | 3.55292 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 432.11438 |
| Heavy Atoms | 31 |
| Complexity | 1462.68 |
Chemical Identifiers
| CAS Number | 956385-06-1 |
|---|---|
| SMILES | CC1=NN(C2=C1[C@H]3[C@@H](C2)C3(C)C)C(=O)C4=CC5=C(C=C4)C(=O)C6=CC=CC=C6S5(=O)=O |
Product Overview
3-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbonyl)-9H-thioxanthen-9-one 10,10-dioxide (CAS 956385-06-1), with molecular formula C24H20N2O4S and molecular weight 432.11 g/mol. IUPAC: 10,10-dioxo-3-[(2S,4R)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-7-carbonyl]thioxanthen-9-one.
Chemical Property Profile of 3-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbonyl)-9H-thioxanthen-9-one 10,10-dioxide
Property Insights of 3-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbonyl)-9H-thioxanthen-9-one 10,10-dioxide
The XLogP value of 3.55292 indicates that 3-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbonyl)-9H-thioxanthen-9-one 10,10-dioxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbonyl)-9H-thioxanthen-9-one 10,10-dioxide. Following Lipinski's Rule of Five, 3-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbonyl)-9H-thioxanthen-9-one 10,10-dioxide 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-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbonyl)-9H-thioxanthen-9-one 10,10-dioxide?
The CAS number of 3-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbonyl)-9H-thioxanthen-9-one 10,10-dioxide is 956385-06-1.
What is the molecular formula of 3-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbonyl)-9H-thioxanthen-9-one 10,10-dioxide?
The molecular formula of 3-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbonyl)-9H-thioxanthen-9-one 10,10-dioxide is C24H20N2O4S.
What is the molecular weight of 3-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbonyl)-9H-thioxanthen-9-one 10,10-dioxide?
The molecular weight of 3-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbonyl)-9H-thioxanthen-9-one 10,10-dioxide is 432.11 g/mol.
Where can I buy 3-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbonyl)-9H-thioxanthen-9-one 10,10-dioxide?
You can request a quote for 3-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbonyl)-9H-thioxanthen-9-one 10,10-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbonyl)-9H-thioxanthen-9-one 10,10-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbonyl)-9H-thioxanthen-9-one 10,10-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.