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Ethyl 3-[(3-chloro-1-oxopropyl)amino]-2-benzofurancarboxylate
TL;DR: Ethyl 3-[(3-chloro-1-oxopropyl)amino]-2-benzofurancarboxylate (CAS 309922-88-1) is a chemical compound with molecular formula C14H14ClNO4 and molecular weight 295.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(3-chloropropanoylamino)-1-benzofuran-2-carboxylate
Also Known As: BAS 01507273, ethyl 3-(3-chloropropanamido)benzofuran-2-carboxylate, ETHYL 3-(3-CHLOROPROPANAMIDO)-1-BENZOFURAN-2-CARBOXYLATE, Ethyl 3-[(3-chloro-1-oxopropyl)amino]-2-benzofurancarboxylate, Ethyl 3-[(3-chloropropanoyl)amino]-1-benzofuran-2-carboxylate
| Molecular Formula | C14H14ClNO4 |
|---|---|
| Molecular Weight | 295.06 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 295.06113 |
| Heavy Atoms | 20 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 309922-88-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)CCCl |
| InChIKey | UASUZMABIRHTLI-UHFFFAOYSA-N |
Product Overview
Ethyl 3-[(3-chloro-1-oxopropyl)amino]-2-benzofurancarboxylate (CAS 309922-88-1), with molecular formula C14H14ClNO4 and molecular weight 295.06 g/mol. IUPAC: ethyl 3-(3-chloropropanoylamino)-1-benzofuran-2-carboxylate.
Chemical Property Profile of Ethyl 3-[(3-chloro-1-oxopropyl)amino]-2-benzofurancarboxylate
Property Insights of Ethyl 3-[(3-chloro-1-oxopropyl)amino]-2-benzofurancarboxylate
The XLogP value of 3.1 indicates that Ethyl 3-[(3-chloro-1-oxopropyl)amino]-2-benzofurancarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[(3-chloro-1-oxopropyl)amino]-2-benzofurancarboxylate. Following Lipinski's Rule of Five, Ethyl 3-[(3-chloro-1-oxopropyl)amino]-2-benzofurancarboxylate has 1 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 3-[(3-chloro-1-oxopropyl)amino]-2-benzofurancarboxylate?
The CAS number of Ethyl 3-[(3-chloro-1-oxopropyl)amino]-2-benzofurancarboxylate is 309922-88-1.
What is the molecular formula of Ethyl 3-[(3-chloro-1-oxopropyl)amino]-2-benzofurancarboxylate?
The molecular formula of Ethyl 3-[(3-chloro-1-oxopropyl)amino]-2-benzofurancarboxylate is C14H14ClNO4.
What is the molecular weight of Ethyl 3-[(3-chloro-1-oxopropyl)amino]-2-benzofurancarboxylate?
The molecular weight of Ethyl 3-[(3-chloro-1-oxopropyl)amino]-2-benzofurancarboxylate is 295.06 g/mol.
Where can I buy Ethyl 3-[(3-chloro-1-oxopropyl)amino]-2-benzofurancarboxylate?
You can request a quote for Ethyl 3-[(3-chloro-1-oxopropyl)amino]-2-benzofurancarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[(3-chloro-1-oxopropyl)amino]-2-benzofurancarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[(3-chloro-1-oxopropyl)amino]-2-benzofurancarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.