ethyl N-(2-morpholin-4-ylcyclopentene-1-carbothioyl)carbamate
TL;DR: ethyl N-(2-morpholin-4-ylcyclopentene-1-carbothioyl)carbamate (CAS 21582-59-2) is a chemical compound with molecular formula C13H20N2O3S and molecular weight 284.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(2-morpholin-4-ylcyclopentene-1-carbothioyl)carbamate
Also Known As: ethyl N-(2-morpholin-4-ylcyclopentene-1-carbothioyl)carbamate, ethyl [2-(4-morpholinyl)-1-cyclopenten-1-yl]carbothioylcarbamate, Ethyl [2-(morpholin-4-yl)cyclopent-1-ene-1-carbothioyl]carbamate
| Molecular Formula | C13H20N2O3S |
|---|---|
| Molecular Weight | 284.12 g/mol |
| LogP | 1.8301 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.11948 |
| Heavy Atoms | 19 |
| Complexity | 389.34958 |
Chemical Identifiers
| CAS Number | 21582-59-2 |
|---|---|
| SMILES | CCOC(=O)NC(=S)C1=C(CCC1)N2CCOCC2 |
Product Overview
ethyl N-(2-morpholin-4-ylcyclopentene-1-carbothioyl)carbamate (CAS 21582-59-2), with molecular formula C13H20N2O3S and molecular weight 284.12 g/mol. IUPAC: ethyl N-(2-morpholin-4-ylcyclopentene-1-carbothioyl)carbamate.
Chemical Property Profile of ethyl N-(2-morpholin-4-ylcyclopentene-1-carbothioyl)carbamate
Property Insights of ethyl N-(2-morpholin-4-ylcyclopentene-1-carbothioyl)carbamate
The XLogP value of 1.8301 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-(2-morpholin-4-ylcyclopentene-1-carbothioyl)carbamate. With a topological polar surface area (TPSA) of 50.8 Ų, ethyl N-(2-morpholin-4-ylcyclopentene-1-carbothioyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl N-(2-morpholin-4-ylcyclopentene-1-carbothioyl)carbamate has 1 hydrogen bond donor(s) and 5 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 ethyl N-(2-morpholin-4-ylcyclopentene-1-carbothioyl)carbamate?
The CAS number of ethyl N-(2-morpholin-4-ylcyclopentene-1-carbothioyl)carbamate is 21582-59-2.
What is the molecular formula of ethyl N-(2-morpholin-4-ylcyclopentene-1-carbothioyl)carbamate?
The molecular formula of ethyl N-(2-morpholin-4-ylcyclopentene-1-carbothioyl)carbamate is C13H20N2O3S.
What is the molecular weight of ethyl N-(2-morpholin-4-ylcyclopentene-1-carbothioyl)carbamate?
The molecular weight of ethyl N-(2-morpholin-4-ylcyclopentene-1-carbothioyl)carbamate is 284.12 g/mol.
Where can I buy ethyl N-(2-morpholin-4-ylcyclopentene-1-carbothioyl)carbamate?
You can request a quote for ethyl N-(2-morpholin-4-ylcyclopentene-1-carbothioyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-(2-morpholin-4-ylcyclopentene-1-carbothioyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-(2-morpholin-4-ylcyclopentene-1-carbothioyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.