![(3bS,4aR)-N-benzyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide structure](/static/products/450/450369-50-3.png)
(3bS,4aR)-N-benzyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide
TL;DR: (3bS,4aR)-N-benzyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide (CAS 450369-50-3) is a chemical compound with molecular formula C18H21N3S and molecular weight 311.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4R)-N-benzyl-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-7-carbothioamide
Also Known As: (3bS,4aR)-N-benzyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide
| Molecular Formula | C18H21N3S |
|---|---|
| Molecular Weight | 311.15 g/mol |
| LogP | 3.41002 |
| Topological Polar Surface Area | 29.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.14563 |
| Heavy Atoms | 22 |
| Complexity | 745.1928 |
Chemical Identifiers
| CAS Number | 450369-50-3 |
|---|---|
| SMILES | CC1=NN(C2=C1[C@H]3[C@@H](C2)C3(C)C)C(=S)NCC4=CC=CC=C4 |
Product Overview
(3bS,4aR)-N-benzyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide (CAS 450369-50-3), with molecular formula C18H21N3S and molecular weight 311.15 g/mol. IUPAC: (2S,4R)-N-benzyl-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-7-carbothioamide.
Chemical Property Profile of (3bS,4aR)-N-benzyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide
Property Insights of (3bS,4aR)-N-benzyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide
The XLogP value of 3.41002 indicates that (3bS,4aR)-N-benzyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.85 Ų, (3bS,4aR)-N-benzyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3bS,4aR)-N-benzyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide has 1 hydrogen bond donor(s) and 2 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)-N-benzyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide?
The CAS number of (3bS,4aR)-N-benzyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide is 450369-50-3.
What is the molecular formula of (3bS,4aR)-N-benzyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide?
The molecular formula of (3bS,4aR)-N-benzyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide is C18H21N3S.
What is the molecular weight of (3bS,4aR)-N-benzyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide?
The molecular weight of (3bS,4aR)-N-benzyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide is 311.15 g/mol.
Where can I buy (3bS,4aR)-N-benzyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide?
You can request a quote for (3bS,4aR)-N-benzyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3bS,4aR)-N-benzyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for (3bS,4aR)-N-benzyl-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.