![(3-chloro-1-benzothiophen-2-yl)[(3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]methanone structure](/static/products/294/294660-45-0.png)
(3-chloro-1-benzothiophen-2-yl)[(3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]methanone
TL;DR: (3-chloro-1-benzothiophen-2-yl)[(3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]methanone (CAS 294660-45-0) is a chemical compound with molecular formula C19H17ClN2OS and molecular weight 356.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-1-benzothiophen-2-yl)-[(2S,4R)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]methanone
Also Known As: (3-chloro-1-benzothiophen-2-yl)[(3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]methanone, (3-chlorobenzo[b]thiophen-2-yl)((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)methanone
| Molecular Formula | C19H17ClN2OS |
|---|---|
| Molecular Weight | 356.07 g/mol |
| LogP | 5.04382 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 356.075 |
| Heavy Atoms | 24 |
| Complexity | 1029.588 |
Chemical Identifiers
| CAS Number | 294660-45-0 |
|---|---|
| SMILES | CC1=NN(C2=C1[C@H]3[C@@H](C2)C3(C)C)C(=O)C4=C(C5=CC=CC=C5S4)Cl |
Product Overview
(3-chloro-1-benzothiophen-2-yl)[(3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]methanone (CAS 294660-45-0), with molecular formula C19H17ClN2OS and molecular weight 356.07 g/mol. IUPAC: (3-chloro-1-benzothiophen-2-yl)-[(2S,4R)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]methanone.
Chemical Property Profile of (3-chloro-1-benzothiophen-2-yl)[(3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]methanone
Property Insights of (3-chloro-1-benzothiophen-2-yl)[(3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]methanone
The XLogP value of 5.04382 indicates that (3-chloro-1-benzothiophen-2-yl)[(3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, (3-chloro-1-benzothiophen-2-yl)[(3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-chloro-1-benzothiophen-2-yl)[(3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]methanone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3-chloro-1-benzothiophen-2-yl)[(3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]methanone?
The CAS number of (3-chloro-1-benzothiophen-2-yl)[(3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]methanone is 294660-45-0.
What is the molecular formula of (3-chloro-1-benzothiophen-2-yl)[(3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]methanone?
The molecular formula of (3-chloro-1-benzothiophen-2-yl)[(3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]methanone is C19H17ClN2OS.
What is the molecular weight of (3-chloro-1-benzothiophen-2-yl)[(3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]methanone?
The molecular weight of (3-chloro-1-benzothiophen-2-yl)[(3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]methanone is 356.07 g/mol.
Where can I buy (3-chloro-1-benzothiophen-2-yl)[(3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]methanone?
You can request a quote for (3-chloro-1-benzothiophen-2-yl)[(3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-chloro-1-benzothiophen-2-yl)[(3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]methanone?
Yes, KEHONG BIO provides custom synthesis services for (3-chloro-1-benzothiophen-2-yl)[(3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.