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 337.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C16H16ClNO3S |
|---|---|
| Molecular Weight | 337.05 g/mol |
| LogP | 3.7224 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.05396 |
| Heavy Atoms | 22 |
| Complexity | 727.24927 |
Chemical Identifiers
| CAS Number | 1009251-61-9 |
|---|---|
| SMILES | CCOC(=O)C1CCCN1C(=O)C2=C(C3=CC=CC=C3S2)Cl |
Product Overview
Ethyl 1-(3-chloro-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylate (CAS 1009251-61-9), with molecular formula C16H16ClNO3S and molecular weight 337.05 g/mol. IUPAC: ethyl 1-(3-chloro-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylate.
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 3.7224 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. With a topological polar surface area (TPSA) of 46.61 Ų, Ethyl 1-(3-chloro-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. 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
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 337.05 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-(3-chloro-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylate?
Yes, KEHONG BIO 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.