![methyl 3-{2-[2-(allylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-2-thiophenecarboxylate structure](/static/products/860/860649-80-5.png)
methyl 3-{2-[2-(allylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-2-thiophenecarboxylate
TL;DR: methyl 3-{2-[2-(allylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-2-thiophenecarboxylate (CAS 860649-80-5) is a chemical compound with molecular formula C15H14N2O4S and molecular weight 318.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[2-[2-oxo-2-(prop-2-enylamino)acetyl]pyrrol-1-yl]thiophene-2-carboxylate
Also Known As: methyl 3-{2-[2-(allylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-2-thiophenecarboxylate, methyl 3-[2-[2-oxo-2-(prop-2-enylamino)acetyl]pyrrol-1-yl]thiophene-2-carboxylate, methyl 3-(2-{[(prop-2-en-1-yl)carbamoyl]carbonyl}-1H-pyrrol-1-yl)thiophene-2-carboxylate, methyl3-(2-{[(prop-2-en-1-yl)carbamoyl]carbonyl}-1H-pyrrol-1-yl)thiophene-2-carboxylate
| Molecular Formula | C15H14N2O4S |
|---|---|
| Molecular Weight | 318.07 g/mol |
| LogP | 1.8103 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.0674 |
| Heavy Atoms | 22 |
| Complexity | 729.4879 |
Chemical Identifiers
| CAS Number | 860649-80-5 |
|---|---|
| SMILES | COC(=O)C1=C(C=CS1)N2C=CC=C2C(=O)C(=O)NCC=C |
Product Overview
methyl 3-{2-[2-(allylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-2-thiophenecarboxylate (CAS 860649-80-5), with molecular formula C15H14N2O4S and molecular weight 318.07 g/mol. IUPAC: methyl 3-[2-[2-oxo-2-(prop-2-enylamino)acetyl]pyrrol-1-yl]thiophene-2-carboxylate.
Chemical Property Profile of methyl 3-{2-[2-(allylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-2-thiophenecarboxylate
Property Insights of methyl 3-{2-[2-(allylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-2-thiophenecarboxylate
The XLogP value of 1.8103 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-{2-[2-(allylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-2-thiophenecarboxylate. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-{2-[2-(allylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-2-thiophenecarboxylate. Following Lipinski's Rule of Five, methyl 3-{2-[2-(allylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-2-thiophenecarboxylate 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 methyl 3-{2-[2-(allylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-2-thiophenecarboxylate?
The CAS number of methyl 3-{2-[2-(allylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-2-thiophenecarboxylate is 860649-80-5.
What is the molecular formula of methyl 3-{2-[2-(allylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-2-thiophenecarboxylate?
The molecular formula of methyl 3-{2-[2-(allylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-2-thiophenecarboxylate is C15H14N2O4S.
What is the molecular weight of methyl 3-{2-[2-(allylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-2-thiophenecarboxylate?
The molecular weight of methyl 3-{2-[2-(allylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-2-thiophenecarboxylate is 318.07 g/mol.
Where can I buy methyl 3-{2-[2-(allylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-2-thiophenecarboxylate?
You can request a quote for methyl 3-{2-[2-(allylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-{2-[2-(allylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-{2-[2-(allylamino)-2-oxoacetyl]-1H-pyrrol-1-yl}-2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.