cis-(+-)-1-Ethyl-1,2,3,3a,8,8a-hexahydroindeno(2,1-b)pyrrol-5-yl butylcarbamate
TL;DR: cis-(+-)-1-Ethyl-1,2,3,3a,8,8a-hexahydroindeno(2,1-b)pyrrol-5-yl butylcarbamate (CAS 139761-07-2) is a chemical compound with molecular formula C18H26N2O2 and molecular weight 302.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aR,8bS)-3-ethyl-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]pyrrol-7-yl] N-butylcarbamate
Also Known As: cis-(+-)-1-Ethyl-1,2,3,3a,8,8a-hexahydroindeno(2,1-b)pyrrol-5-yl butylcarbamate, Carbamic acid, butyl-, 1-ethyl-1,2,3,3a,8,8a-hexahydroindeno(2,1-b)pyrrol-5-yl ester, cis-(+-)-, (3aS,8aR)-1-ethyl-1H,2H,3H,3aH,8H,8aH-indeno[2,1-b]pyrrol-5-yl N-butylcarbamate, [(3aR,8bS)-3-ethyl-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]pyrrol-7-yl] N-butylcarbamate, 1-Ethyl-1,2,3,3a,8,8a-hexahydroindeno[2,1-b]pyrrol-5-yl hydrogen butylcarbonimidate
| Molecular Formula | C18H26N2O2 |
|---|---|
| Molecular Weight | 302.20 g/mol |
| LogP | 3.309 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.19943 |
| Heavy Atoms | 22 |
| Complexity | 543.88873 |
Chemical Identifiers
| CAS Number | 139761-07-2 |
|---|---|
| SMILES | CCCCNC(=O)OC1=CC2=C(C[C@@H]3[C@H]2CCN3CC)C=C1 |
Product Overview
cis-(+-)-1-Ethyl-1,2,3,3a,8,8a-hexahydroindeno(2,1-b)pyrrol-5-yl butylcarbamate (CAS 139761-07-2), with molecular formula C18H26N2O2 and molecular weight 302.20 g/mol. IUPAC: [(3aR,8bS)-3-ethyl-2,3a,4,8b-tetrahydro-1H-indeno[2,1-b]pyrrol-7-yl] N-butylcarbamate.
Chemical Property Profile of cis-(+-)-1-Ethyl-1,2,3,3a,8,8a-hexahydroindeno(2,1-b)pyrrol-5-yl butylcarbamate
Property Insights of cis-(+-)-1-Ethyl-1,2,3,3a,8,8a-hexahydroindeno(2,1-b)pyrrol-5-yl butylcarbamate
The XLogP value of 3.309 indicates that cis-(+-)-1-Ethyl-1,2,3,3a,8,8a-hexahydroindeno(2,1-b)pyrrol-5-yl butylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, cis-(+-)-1-Ethyl-1,2,3,3a,8,8a-hexahydroindeno(2,1-b)pyrrol-5-yl butylcarbamate 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-5-yl butylcarbamate has 1 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 cis-(+-)-1-Ethyl-1,2,3,3a,8,8a-hexahydroindeno(2,1-b)pyrrol-5-yl butylcarbamate?
The CAS number of cis-(+-)-1-Ethyl-1,2,3,3a,8,8a-hexahydroindeno(2,1-b)pyrrol-5-yl butylcarbamate is 139761-07-2.
What is the molecular formula of cis-(+-)-1-Ethyl-1,2,3,3a,8,8a-hexahydroindeno(2,1-b)pyrrol-5-yl butylcarbamate?
The molecular formula of cis-(+-)-1-Ethyl-1,2,3,3a,8,8a-hexahydroindeno(2,1-b)pyrrol-5-yl butylcarbamate is C18H26N2O2.
What is the molecular weight of cis-(+-)-1-Ethyl-1,2,3,3a,8,8a-hexahydroindeno(2,1-b)pyrrol-5-yl butylcarbamate?
The molecular weight of cis-(+-)-1-Ethyl-1,2,3,3a,8,8a-hexahydroindeno(2,1-b)pyrrol-5-yl butylcarbamate is 302.20 g/mol.
Where can I buy cis-(+-)-1-Ethyl-1,2,3,3a,8,8a-hexahydroindeno(2,1-b)pyrrol-5-yl butylcarbamate?
You can request a quote for cis-(+-)-1-Ethyl-1,2,3,3a,8,8a-hexahydroindeno(2,1-b)pyrrol-5-yl butylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-(+-)-1-Ethyl-1,2,3,3a,8,8a-hexahydroindeno(2,1-b)pyrrol-5-yl butylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for cis-(+-)-1-Ethyl-1,2,3,3a,8,8a-hexahydroindeno(2,1-b)pyrrol-5-yl butylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.