ethyl N-(3,4-dicyano-5-ethylsulfanyl-1H-pyrrol-2-yl)methanimidate
TL;DR: ethyl N-(3,4-dicyano-5-ethylsulfanyl-1H-pyrrol-2-yl)methanimidate (CAS 1500-89-6) is a chemical compound with molecular formula C11H12N4OS and molecular weight 248.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(3,4-dicyano-5-ethylsulfanyl-1H-pyrrol-2-yl)methanimidate
Also Known As: ethyl 3,4-dicyano-5-(ethylsulfanyl)-1H-pyrrol-2-ylimidoformate, ethyl N-(3,4-dicyano-5-ethylsulfanyl-1H-pyrrol-2-yl)methanimidate
| Molecular Formula | C11H12N4OS |
|---|---|
| Molecular Weight | 248.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.07318 |
| Heavy Atoms | 17 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 1500-89-6 |
|---|---|
| SMILES | CCOC=NC1=C(C(=C(N1)SCC)C#N)C#N |
| InChIKey | AZLMULPLVCXBJG-UHFFFAOYSA-N |
Product Overview
ethyl N-(3,4-dicyano-5-ethylsulfanyl-1H-pyrrol-2-yl)methanimidate (CAS 1500-89-6), with molecular formula C11H12N4OS and molecular weight 248.07 g/mol. IUPAC: ethyl N-(3,4-dicyano-5-ethylsulfanyl-1H-pyrrol-2-yl)methanimidate.
Chemical Property Profile of ethyl N-(3,4-dicyano-5-ethylsulfanyl-1H-pyrrol-2-yl)methanimidate
Property Insights of ethyl N-(3,4-dicyano-5-ethylsulfanyl-1H-pyrrol-2-yl)methanimidate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-(3,4-dicyano-5-ethylsulfanyl-1H-pyrrol-2-yl)methanimidate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-(3,4-dicyano-5-ethylsulfanyl-1H-pyrrol-2-yl)methanimidate. Following Lipinski's Rule of Five, ethyl N-(3,4-dicyano-5-ethylsulfanyl-1H-pyrrol-2-yl)methanimidate 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-(3,4-dicyano-5-ethylsulfanyl-1H-pyrrol-2-yl)methanimidate?
The CAS number of ethyl N-(3,4-dicyano-5-ethylsulfanyl-1H-pyrrol-2-yl)methanimidate is 1500-89-6.
What is the molecular formula of ethyl N-(3,4-dicyano-5-ethylsulfanyl-1H-pyrrol-2-yl)methanimidate?
The molecular formula of ethyl N-(3,4-dicyano-5-ethylsulfanyl-1H-pyrrol-2-yl)methanimidate is C11H12N4OS.
What is the molecular weight of ethyl N-(3,4-dicyano-5-ethylsulfanyl-1H-pyrrol-2-yl)methanimidate?
The molecular weight of ethyl N-(3,4-dicyano-5-ethylsulfanyl-1H-pyrrol-2-yl)methanimidate is 248.07 g/mol.
Where can I buy ethyl N-(3,4-dicyano-5-ethylsulfanyl-1H-pyrrol-2-yl)methanimidate?
You can request a quote for ethyl N-(3,4-dicyano-5-ethylsulfanyl-1H-pyrrol-2-yl)methanimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-(3,4-dicyano-5-ethylsulfanyl-1H-pyrrol-2-yl)methanimidate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-(3,4-dicyano-5-ethylsulfanyl-1H-pyrrol-2-yl)methanimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.