2-((2-Cyanoethyl)anilino)ethyl methyl carbonate
TL;DR: 2-((2-Cyanoethyl)anilino)ethyl methyl carbonate (CAS 93839-02-2) is a chemical compound with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(2-cyanoethyl)anilino]ethyl methyl carbonate
Also Known As: EINECS 298-773-4, 2-((2-Cyanoethyl)anilino)ethyl methyl carbonate, 2-[anilino]ethylmethylcarbonate, 2-[ anilino]ethylmethylcarbonate, 2-[(2-CYANOETHYL)ANILINO]ETHYL METHYL CARBONATE
| Molecular Formula | C13H16N2O3 |
|---|---|
| Molecular Weight | 248.12 g/mol |
| LogP | 2.18968 |
| Topological Polar Surface Area | 62.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 248.11609 |
| Heavy Atoms | 18 |
| Complexity | 400.44742 |
Chemical Identifiers
| CAS Number | 93839-02-2 |
|---|---|
| SMILES | COC(=O)OCCN(CCC#N)C1=CC=CC=C1 |
Product Overview
2-((2-Cyanoethyl)anilino)ethyl methyl carbonate (CAS 93839-02-2), with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol. IUPAC: 2-[N-(2-cyanoethyl)anilino]ethyl methyl carbonate.
Chemical Property Profile of 2-((2-Cyanoethyl)anilino)ethyl methyl carbonate
Property Insights of 2-((2-Cyanoethyl)anilino)ethyl methyl carbonate
The XLogP value of 2.18968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2-Cyanoethyl)anilino)ethyl methyl carbonate. The TPSA of 62.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-Cyanoethyl)anilino)ethyl methyl carbonate. Following Lipinski's Rule of Five, 2-((2-Cyanoethyl)anilino)ethyl methyl carbonate has 0 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 2-((2-Cyanoethyl)anilino)ethyl methyl carbonate?
The CAS number of 2-((2-Cyanoethyl)anilino)ethyl methyl carbonate is 93839-02-2.
What is the molecular formula of 2-((2-Cyanoethyl)anilino)ethyl methyl carbonate?
The molecular formula of 2-((2-Cyanoethyl)anilino)ethyl methyl carbonate is C13H16N2O3.
What is the molecular weight of 2-((2-Cyanoethyl)anilino)ethyl methyl carbonate?
The molecular weight of 2-((2-Cyanoethyl)anilino)ethyl methyl carbonate is 248.12 g/mol.
Where can I buy 2-((2-Cyanoethyl)anilino)ethyl methyl carbonate?
You can request a quote for 2-((2-Cyanoethyl)anilino)ethyl methyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-Cyanoethyl)anilino)ethyl methyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-Cyanoethyl)anilino)ethyl methyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.