![(3bS,4aR)-1-(1,3-benzothiazol-2-yl)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole structure](/static/products/448/448207-18-9.png)
(3bS,4aR)-1-(1,3-benzothiazol-2-yl)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole
TL;DR: (3bS,4aR)-1-(1,3-benzothiazol-2-yl)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole (CAS 448207-18-9) is a chemical compound with molecular formula C17H17N3S and molecular weight 295.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2S,4R)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-1,3-benzothiazole
Also Known As: (3bS,4aR)-1-(1,3-benzothiazol-2-yl)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole, 2-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)benzo[d]thiazole
| Molecular Formula | C17H17N3S |
|---|---|
| Molecular Weight | 295.11 g/mol |
| LogP | 4.08612 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 295.11432 |
| Heavy Atoms | 21 |
| Complexity | 853.7125 |
Chemical Identifiers
| CAS Number | 448207-18-9 |
|---|---|
| SMILES | CC1=NN(C2=C1[C@H]3[C@@H](C2)C3(C)C)C4=NC5=CC=CC=C5S4 |
Product Overview
(3bS,4aR)-1-(1,3-benzothiazol-2-yl)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole (CAS 448207-18-9), with molecular formula C17H17N3S and molecular weight 295.11 g/mol. IUPAC: 2-[(2S,4R)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-1,3-benzothiazole.
Chemical Property Profile of (3bS,4aR)-1-(1,3-benzothiazol-2-yl)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole
Property Insights of (3bS,4aR)-1-(1,3-benzothiazol-2-yl)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole
The XLogP value of 4.08612 indicates that (3bS,4aR)-1-(1,3-benzothiazol-2-yl)-3,4,4-trimethyl-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 30.71 Ų, (3bS,4aR)-1-(1,3-benzothiazol-2-yl)-3,4,4-trimethyl-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)-1-(1,3-benzothiazol-2-yl)-3,4,4-trimethyl-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)-1-(1,3-benzothiazol-2-yl)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole?
The CAS number of (3bS,4aR)-1-(1,3-benzothiazol-2-yl)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole is 448207-18-9.
What is the molecular formula of (3bS,4aR)-1-(1,3-benzothiazol-2-yl)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole?
The molecular formula of (3bS,4aR)-1-(1,3-benzothiazol-2-yl)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole is C17H17N3S.
What is the molecular weight of (3bS,4aR)-1-(1,3-benzothiazol-2-yl)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole?
The molecular weight of (3bS,4aR)-1-(1,3-benzothiazol-2-yl)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole is 295.11 g/mol.
Where can I buy (3bS,4aR)-1-(1,3-benzothiazol-2-yl)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole?
You can request a quote for (3bS,4aR)-1-(1,3-benzothiazol-2-yl)-3,4,4-trimethyl-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)-1-(1,3-benzothiazol-2-yl)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole?
Yes, KEHONG BIO provides custom synthesis services for (3bS,4aR)-1-(1,3-benzothiazol-2-yl)-3,4,4-trimethyl-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.