cis-(+-)-1-Ethyl-1,2,3,3a,8,8a-hexahydroindeno(2,1-b)pyrrol heptylcarbamate
TL;DR: cis-(+-)-1-Ethyl-1,2,3,3a,8,8a-hexahydroindeno(2,1-b)pyrrol heptylcarbamate (CAS 139761-05-0) is a chemical compound with molecular formula C21H32N2O2 and molecular weight 344.24637 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3aR,8bS)-3-ethyl-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]pyrrol-7-yl] N-heptylcarbamate
Also Known As: cis-(+-)-1-Ethyl-1,2,3,3a,8,8a-hexahydroindeno(2,1-b)pyrrol heptylcarbamate, Carbamic acid, heptyl-, 1-ethyl-1,2,3,3a,8,8a-hexahydroindeno(2,1-b)pyrrol-5-yl ester, cis-(+-)-, (3aS,8aR)-1-ethyl-1,2,3,3a,8,8a-hexahydroindeno[2,1-b]pyrrol-5-yl heptylcarbamate, (3aS,8aR)-1-ethyl-1H,2H,3H,3aH,8H,8aH-indeno[2,1-b]pyrrol-5-yl N-heptylcarbamate, [(3aR,8bS)-3-ethyl-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]pyrrol-7-yl] N-heptylcarbamate
Technical Specifications
| Molecular Formula | C21H32N2O2 |
| Molecular Weight | 344.24637 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 344.24637 Da |
| Heavy Atoms | 25 |
| Complexity | 428.0 |
| SMILES | CCCCCCCNC(=O)OC1=CC2=C(C[C@@H]3[C@H]2CCN3CC)C=C1 |
| InChIKey | NNWAKPXOOYJLNL-AZUAARDMSA-N |
Chemical Property Profile of cis-(+-)-1-Ethyl-1,2,3,3a,8,8a-hexahydroindeno(2,1-b)pyrrol heptylcarbamate
Property Insights of cis-(+-)-1-Ethyl-1,2,3,3a,8,8a-hexahydroindeno(2,1-b)pyrrol heptylcarbamate
The XLogP value of 5.1 indicates that cis-(+-)-1-Ethyl-1,2,3,3a,8,8a-hexahydroindeno(2,1-b)pyrrol heptylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.6 Ų, cis-(+-)-1-Ethyl-1,2,3,3a,8,8a-hexahydroindeno(2,1-b)pyrrol heptylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-(+-)-1-Ethyl-1,2,3,3a,8,8a-hexahydroindeno(2,1-b)pyrrol heptylcarbamate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of cis-(+-)-1-Ethyl-1,2,3,3a,8,8a-hexahydroindeno(2,1-b)pyrrol heptylcarbamate?
The CAS number of cis-(+-)-1-Ethyl-1,2,3,3a,8,8a-hexahydroindeno(2,1-b)pyrrol heptylcarbamate is 139761-05-0.
What is the molecular formula of cis-(+-)-1-Ethyl-1,2,3,3a,8,8a-hexahydroindeno(2,1-b)pyrrol heptylcarbamate?
The molecular formula of cis-(+-)-1-Ethyl-1,2,3,3a,8,8a-hexahydroindeno(2,1-b)pyrrol heptylcarbamate is C21H32N2O2.
What is the molecular weight of cis-(+-)-1-Ethyl-1,2,3,3a,8,8a-hexahydroindeno(2,1-b)pyrrol heptylcarbamate?
The molecular weight of cis-(+-)-1-Ethyl-1,2,3,3a,8,8a-hexahydroindeno(2,1-b)pyrrol heptylcarbamate is 344.24637 g/mol.
Where can I buy cis-(+-)-1-Ethyl-1,2,3,3a,8,8a-hexahydroindeno(2,1-b)pyrrol heptylcarbamate?
You can request a quote for cis-(+-)-1-Ethyl-1,2,3,3a,8,8a-hexahydroindeno(2,1-b)pyrrol heptylcarbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for cis-(+-)-1-Ethyl-1,2,3,3a,8,8a-hexahydroindeno(2,1-b)pyrrol heptylcarbamate?
Yes, CoreyChem provides custom synthesis services for cis-(+-)-1-Ethyl-1,2,3,3a,8,8a-hexahydroindeno(2,1-b)pyrrol heptylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.