![methyl 2-[2-(2-cyano-3-nitrilo-1-propenyl)-1H-pyrrol-1-yl]-3,3-dimethylbutanoate structure](/static/products/3433/343373-29-5.webp)
methyl 2-[2-(2-cyano-3-nitrilo-1-propenyl)-1H-pyrrol-1-yl]-3,3-dimethylbutanoate
TL;DR: methyl 2-[2-(2-cyano-3-nitrilo-1-propenyl)-1H-pyrrol-1-yl]-3,3-dimethylbutanoate (CAS 343373-29-5) is a chemical compound with molecular formula C15H17N3O2 and molecular weight 271.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-(2,2-dicyanoethenyl)pyrrol-1-yl]-3,3-dimethylbutanoate
Also Known As: 6N-016, methyl 2-[2-(2-cyano-3-nitrilo-1-propenyl)-1H-pyrrol-1-yl]-3,3-dimethylbutanoate, methyl 2-[2-(2,2-dicyanoethenyl)pyrrol-1-yl]-3,3-dimethylbutanoate, methyl 2-[2-(2,2-dicyanoeth-1-en-1-yl)-1H-pyrrol-1-yl]-3,3-dimethylbutanoate, Methyl 2-[2-(2,2-dicyanoethenyl)-1H-pyrrol-1-yl]-3,3-dimethylbutanoate
| Molecular Formula | C15H17N3O2 |
|---|---|
| Molecular Weight | 271.13 g/mol |
| LogP | 2.67886 |
| Topological Polar Surface Area | 78.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.13208 |
| Heavy Atoms | 20 |
| Complexity | 590.28876 |
Chemical Identifiers
| CAS Number | 343373-29-5 |
|---|---|
| SMILES | CC(C)(C)C(C(=O)OC)N1C=CC=C1C=C(C#N)C#N |
Product Overview
methyl 2-[2-(2-cyano-3-nitrilo-1-propenyl)-1H-pyrrol-1-yl]-3,3-dimethylbutanoate (CAS 343373-29-5), with molecular formula C15H17N3O2 and molecular weight 271.13 g/mol. IUPAC: methyl 2-[2-(2,2-dicyanoethenyl)pyrrol-1-yl]-3,3-dimethylbutanoate.
Chemical Property Profile of methyl 2-[2-(2-cyano-3-nitrilo-1-propenyl)-1H-pyrrol-1-yl]-3,3-dimethylbutanoate
Property Insights of methyl 2-[2-(2-cyano-3-nitrilo-1-propenyl)-1H-pyrrol-1-yl]-3,3-dimethylbutanoate
The XLogP value of 2.67886 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[2-(2-cyano-3-nitrilo-1-propenyl)-1H-pyrrol-1-yl]-3,3-dimethylbutanoate. The TPSA of 78.81 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[2-(2-cyano-3-nitrilo-1-propenyl)-1H-pyrrol-1-yl]-3,3-dimethylbutanoate. Following Lipinski's Rule of Five, methyl 2-[2-(2-cyano-3-nitrilo-1-propenyl)-1H-pyrrol-1-yl]-3,3-dimethylbutanoate has 0 hydrogen bond donor(s) and 4 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 methyl 2-[2-(2-cyano-3-nitrilo-1-propenyl)-1H-pyrrol-1-yl]-3,3-dimethylbutanoate?
The CAS number of methyl 2-[2-(2-cyano-3-nitrilo-1-propenyl)-1H-pyrrol-1-yl]-3,3-dimethylbutanoate is 343373-29-5.
What is the molecular formula of methyl 2-[2-(2-cyano-3-nitrilo-1-propenyl)-1H-pyrrol-1-yl]-3,3-dimethylbutanoate?
The molecular formula of methyl 2-[2-(2-cyano-3-nitrilo-1-propenyl)-1H-pyrrol-1-yl]-3,3-dimethylbutanoate is C15H17N3O2.
What is the molecular weight of methyl 2-[2-(2-cyano-3-nitrilo-1-propenyl)-1H-pyrrol-1-yl]-3,3-dimethylbutanoate?
The molecular weight of methyl 2-[2-(2-cyano-3-nitrilo-1-propenyl)-1H-pyrrol-1-yl]-3,3-dimethylbutanoate is 271.13 g/mol.
Where can I buy methyl 2-[2-(2-cyano-3-nitrilo-1-propenyl)-1H-pyrrol-1-yl]-3,3-dimethylbutanoate?
You can request a quote for methyl 2-[2-(2-cyano-3-nitrilo-1-propenyl)-1H-pyrrol-1-yl]-3,3-dimethylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[2-(2-cyano-3-nitrilo-1-propenyl)-1H-pyrrol-1-yl]-3,3-dimethylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[2-(2-cyano-3-nitrilo-1-propenyl)-1H-pyrrol-1-yl]-3,3-dimethylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.