![methyl 1-[5-(3-chloro-2-thienyl)-3-cyano-1H-pyrrol-2-yl]-4-piperidinecarboxylate structure](/static/products/4778/477854-08-3.webp)
methyl 1-[5-(3-chloro-2-thienyl)-3-cyano-1H-pyrrol-2-yl]-4-piperidinecarboxylate
TL;DR: methyl 1-[5-(3-chloro-2-thienyl)-3-cyano-1H-pyrrol-2-yl]-4-piperidinecarboxylate (CAS 477854-08-3) is a chemical compound with molecular formula C16H16ClN3O2S and molecular weight 349.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-[5-(3-chlorothiophen-2-yl)-3-cyano-1H-pyrrol-2-yl]piperidine-4-carboxylate
Also Known As: Bionet1_002070, methyl 1-[5-(3-chloro-2-thienyl)-3-cyano-1H-pyrrol-2-yl]-4-piperidinecarboxylate, methyl 1-[5-(3-chlorothiophen-2-yl)-3-cyano-1H-pyrrol-2-yl]piperidine-4-carboxylate, 11J-905, Methyl 1-(5-(3-chloro-2-thienyl)-3-cyano-1H-pyrrol-2-yl)-4-piperidinecarboxylate
| Molecular Formula | C16H16ClN3O2S |
|---|---|
| Molecular Weight | 349.07 g/mol |
| LogP | 3.65768 |
| Topological Polar Surface Area | 69.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.0652 |
| Heavy Atoms | 23 |
| Complexity | 753.7087 |
Chemical Identifiers
| CAS Number | 477854-08-3 |
|---|---|
| SMILES | COC(=O)C1CCN(CC1)C2=C(C=C(N2)C3=C(C=CS3)Cl)C#N |
Product Overview
methyl 1-[5-(3-chloro-2-thienyl)-3-cyano-1H-pyrrol-2-yl]-4-piperidinecarboxylate (CAS 477854-08-3), with molecular formula C16H16ClN3O2S and molecular weight 349.07 g/mol. IUPAC: methyl 1-[5-(3-chlorothiophen-2-yl)-3-cyano-1H-pyrrol-2-yl]piperidine-4-carboxylate.
Chemical Property Profile of methyl 1-[5-(3-chloro-2-thienyl)-3-cyano-1H-pyrrol-2-yl]-4-piperidinecarboxylate
Property Insights of methyl 1-[5-(3-chloro-2-thienyl)-3-cyano-1H-pyrrol-2-yl]-4-piperidinecarboxylate
The XLogP value of 3.65768 indicates that methyl 1-[5-(3-chloro-2-thienyl)-3-cyano-1H-pyrrol-2-yl]-4-piperidinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.12 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 1-[5-(3-chloro-2-thienyl)-3-cyano-1H-pyrrol-2-yl]-4-piperidinecarboxylate. Following Lipinski's Rule of Five, methyl 1-[5-(3-chloro-2-thienyl)-3-cyano-1H-pyrrol-2-yl]-4-piperidinecarboxylate 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 1-[5-(3-chloro-2-thienyl)-3-cyano-1H-pyrrol-2-yl]-4-piperidinecarboxylate?
The CAS number of methyl 1-[5-(3-chloro-2-thienyl)-3-cyano-1H-pyrrol-2-yl]-4-piperidinecarboxylate is 477854-08-3.
What is the molecular formula of methyl 1-[5-(3-chloro-2-thienyl)-3-cyano-1H-pyrrol-2-yl]-4-piperidinecarboxylate?
The molecular formula of methyl 1-[5-(3-chloro-2-thienyl)-3-cyano-1H-pyrrol-2-yl]-4-piperidinecarboxylate is C16H16ClN3O2S.
What is the molecular weight of methyl 1-[5-(3-chloro-2-thienyl)-3-cyano-1H-pyrrol-2-yl]-4-piperidinecarboxylate?
The molecular weight of methyl 1-[5-(3-chloro-2-thienyl)-3-cyano-1H-pyrrol-2-yl]-4-piperidinecarboxylate is 349.07 g/mol.
Where can I buy methyl 1-[5-(3-chloro-2-thienyl)-3-cyano-1H-pyrrol-2-yl]-4-piperidinecarboxylate?
You can request a quote for methyl 1-[5-(3-chloro-2-thienyl)-3-cyano-1H-pyrrol-2-yl]-4-piperidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 1-[5-(3-chloro-2-thienyl)-3-cyano-1H-pyrrol-2-yl]-4-piperidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-[5-(3-chloro-2-thienyl)-3-cyano-1H-pyrrol-2-yl]-4-piperidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.