methyl 4-cyano-3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thiophenecarboxylate
TL;DR: methyl 4-cyano-3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thiophenecarboxylate (CAS 900019-87-6) is a chemical compound with molecular formula C13H12N2O2S and molecular weight 260.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-cyano-3-(2,5-dimethylpyrrol-1-yl)thiophene-2-carboxylate
Also Known As: methyl 4-cyano-3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thiophenecarboxylate, methyl 4-cyano-3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophene-2-carboxylate, 1Y-0830, methyl 4-cyano-3-(2,5-dimethylpyrrol-1-yl)thiophene-2-carboxylate, methyl4-cyano-3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophene-2-carboxylate
| Molecular Formula | C13H12N2O2S |
|---|---|
| Molecular Weight | 260.06 g/mol |
| LogP | 2.81392 |
| Topological Polar Surface Area | 55.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.06195 |
| Heavy Atoms | 18 |
| Complexity | 626.9857 |
Chemical Identifiers
| CAS Number | 900019-87-6 |
|---|---|
| SMILES | CC1=CC=C(N1C2=C(SC=C2C#N)C(=O)OC)C |
Product Overview
methyl 4-cyano-3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thiophenecarboxylate (CAS 900019-87-6), with molecular formula C13H12N2O2S and molecular weight 260.06 g/mol. IUPAC: methyl 4-cyano-3-(2,5-dimethylpyrrol-1-yl)thiophene-2-carboxylate.
Chemical Property Profile of methyl 4-cyano-3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thiophenecarboxylate
Property Insights of methyl 4-cyano-3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thiophenecarboxylate
The XLogP value of 2.81392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-cyano-3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thiophenecarboxylate. With a topological polar surface area (TPSA) of 55.02 Ų, methyl 4-cyano-3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-cyano-3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thiophenecarboxylate 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 4-cyano-3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thiophenecarboxylate?
The CAS number of methyl 4-cyano-3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thiophenecarboxylate is 900019-87-6.
What is the molecular formula of methyl 4-cyano-3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thiophenecarboxylate?
The molecular formula of methyl 4-cyano-3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thiophenecarboxylate is C13H12N2O2S.
What is the molecular weight of methyl 4-cyano-3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thiophenecarboxylate?
The molecular weight of methyl 4-cyano-3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thiophenecarboxylate is 260.06 g/mol.
Where can I buy methyl 4-cyano-3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thiophenecarboxylate?
You can request a quote for methyl 4-cyano-3-(2,5-dimethyl-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 4-cyano-3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-cyano-3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.