ethyl 2-amino-4-(3-chloro-2-thienyl)-1H-pyrrole-3-carboxylate
TL;DR: ethyl 2-amino-4-(3-chloro-2-thienyl)-1H-pyrrole-3-carboxylate (CAS 338982-14-2) is a chemical compound with molecular formula C11H11ClN2O2S and molecular weight 270.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-4-(3-chlorothiophen-2-yl)-1H-pyrrole-3-carboxylate
Also Known As: ethyl 2-amino-4-(3-chloro-2-thienyl)-1H-pyrrole-3-carboxylate, ethyl 2-amino-4-(3-chlorothiophen-2-yl)-1H-pyrrole-3-carboxylate, 0789AE, ethylaminochlorothienylpyrrolecarboxylate, 12J-909
| Molecular Formula | C11H11ClN2O2S |
|---|---|
| Molecular Weight | 270.02 g/mol |
| LogP | 3.1555 |
| Topological Polar Surface Area | 68.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.02298 |
| Heavy Atoms | 17 |
| Complexity | 547.4139 |
Chemical Identifiers
| CAS Number | 338982-14-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC=C1C2=C(C=CS2)Cl)N |
Product Overview
ethyl 2-amino-4-(3-chloro-2-thienyl)-1H-pyrrole-3-carboxylate (CAS 338982-14-2), with molecular formula C11H11ClN2O2S and molecular weight 270.02 g/mol. IUPAC: ethyl 2-amino-4-(3-chlorothiophen-2-yl)-1H-pyrrole-3-carboxylate.
Chemical Property Profile of ethyl 2-amino-4-(3-chloro-2-thienyl)-1H-pyrrole-3-carboxylate
Property Insights of ethyl 2-amino-4-(3-chloro-2-thienyl)-1H-pyrrole-3-carboxylate
The XLogP value of 3.1555 indicates that ethyl 2-amino-4-(3-chloro-2-thienyl)-1H-pyrrole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-amino-4-(3-chloro-2-thienyl)-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-amino-4-(3-chloro-2-thienyl)-1H-pyrrole-3-carboxylate has 2 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 ethyl 2-amino-4-(3-chloro-2-thienyl)-1H-pyrrole-3-carboxylate?
The CAS number of ethyl 2-amino-4-(3-chloro-2-thienyl)-1H-pyrrole-3-carboxylate is 338982-14-2.
What is the molecular formula of ethyl 2-amino-4-(3-chloro-2-thienyl)-1H-pyrrole-3-carboxylate?
The molecular formula of ethyl 2-amino-4-(3-chloro-2-thienyl)-1H-pyrrole-3-carboxylate is C11H11ClN2O2S.
What is the molecular weight of ethyl 2-amino-4-(3-chloro-2-thienyl)-1H-pyrrole-3-carboxylate?
The molecular weight of ethyl 2-amino-4-(3-chloro-2-thienyl)-1H-pyrrole-3-carboxylate is 270.02 g/mol.
Where can I buy ethyl 2-amino-4-(3-chloro-2-thienyl)-1H-pyrrole-3-carboxylate?
You can request a quote for ethyl 2-amino-4-(3-chloro-2-thienyl)-1H-pyrrole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-amino-4-(3-chloro-2-thienyl)-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-amino-4-(3-chloro-2-thienyl)-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.