Ethyl 1-(3-chloro-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylate
TL;DR: Ethyl 1-(3-chloro-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylate (CAS 1009251-61-9) is a chemical compound with molecular formula C16H16ClNO3S and molecular weight 337.05396 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1-(3-chloro-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylate
Also Known As: AN-329/42667846, ethyl 1-[(3-chloro-1-benzothien-2-yl)carbonyl]prolinate, ethyl 1-[(3-chloro-1-benzothiophen-2-yl)carbonyl]prolinate, ethyl 1-(3-chloro-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylate, ethyl 1-[(3-chloro-1-benzothien-2-yl)carbonyl]-2-pyrrolidinecarboxylate
Technical Specifications
| Molecular Formula | C16H16ClNO3S |
| Molecular Weight | 337.05396 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 74.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.05396 Da |
| Heavy Atoms | 22 |
| Complexity | 447.0 |
| SMILES | CCOC(=O)C1CCCN1C(=O)C2=C(C3=CC=CC=C3S2)Cl |
| InChIKey | AMSPDGCGOZGYJZ-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 1-(3-chloro-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylate
Property Insights of Ethyl 1-(3-chloro-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylate
The XLogP value of 4.2 indicates that Ethyl 1-(3-chloro-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-(3-chloro-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-(3-chloro-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylate 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
What is the CAS number of Ethyl 1-(3-chloro-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylate?
The CAS number of Ethyl 1-(3-chloro-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylate is 1009251-61-9.
What is the molecular formula of Ethyl 1-(3-chloro-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylate?
The molecular formula of Ethyl 1-(3-chloro-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylate is C16H16ClNO3S.
What is the molecular weight of Ethyl 1-(3-chloro-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylate?
The molecular weight of Ethyl 1-(3-chloro-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylate is 337.05396 g/mol.
Where can I buy Ethyl 1-(3-chloro-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylate?
You can request a quote for Ethyl 1-(3-chloro-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 1-(3-chloro-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 1-(3-chloro-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.