![(3bS,4aR)-3,4,4-trimethyl-1-[(4-methylphenyl)sulfonyl]-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole structure](/static/products/121/1212137-26-2.png)
(3bS,4aR)-3,4,4-trimethyl-1-[(4-methylphenyl)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-methylphenyl)sulfonyl]-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole (CAS 1212137-26-2) is a chemical compound with molecular formula C17H20N2O2S and molecular weight 316.12 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-methylphenyl)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-methylphenyl)sulfonyl]-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole, (3bS,4aR)-3,4,4-trimethyl-1-tosyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole
| Molecular Formula | C17H20N2O2S |
|---|---|
| Molecular Weight | 316.12 g/mol |
| LogP | 3.03264 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.12454 |
| Heavy Atoms | 22 |
| Complexity | 876.1279 |
Chemical Identifiers
| CAS Number | 1212137-26-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C3=C([C@H]4[C@@H](C3)C4(C)C)C(=N2)C |
Product Overview
(3bS,4aR)-3,4,4-trimethyl-1-[(4-methylphenyl)sulfonyl]-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole (CAS 1212137-26-2), with molecular formula C17H20N2O2S and molecular weight 316.12 g/mol. IUPAC: (2S,4R)-3,3,9-trimethyl-7-(4-methylphenyl)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-methylphenyl)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-methylphenyl)sulfonyl]-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole
The XLogP value of 3.03264 indicates that (3bS,4aR)-3,4,4-trimethyl-1-[(4-methylphenyl)sulfonyl]-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.96 Ų, (3bS,4aR)-3,4,4-trimethyl-1-[(4-methylphenyl)sulfonyl]-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3bS,4aR)-3,4,4-trimethyl-1-[(4-methylphenyl)sulfonyl]-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole has 0 hydrogen bond donor(s) and 3 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-methylphenyl)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-methylphenyl)sulfonyl]-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole is 1212137-26-2.
What is the molecular formula of (3bS,4aR)-3,4,4-trimethyl-1-[(4-methylphenyl)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-methylphenyl)sulfonyl]-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole is C17H20N2O2S.
What is the molecular weight of (3bS,4aR)-3,4,4-trimethyl-1-[(4-methylphenyl)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-methylphenyl)sulfonyl]-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole is 316.12 g/mol.
Where can I buy (3bS,4aR)-3,4,4-trimethyl-1-[(4-methylphenyl)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-methylphenyl)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-methylphenyl)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-methylphenyl)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.