3-(2-Pyrrolidin-1-yl-acetylamino)-benzofuran-2-carboxylic acid methyl ester
TL;DR: 3-(2-Pyrrolidin-1-yl-acetylamino)-benzofuran-2-carboxylic acid methyl ester (CAS 309279-73-0) is a chemical compound with molecular formula C16H18N2O4 and molecular weight 302.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(2-pyrrolidin-1-ylacetyl)amino]-1-benzofuran-2-carboxylate
Also Known As: BAS 02282079, A2087/0087776, 3-(2-Pyrrolidin-1-yl-acetylamino)-benzofuran-2-carboxylic acid methyl ester, methyl 3-(2-(pyrrolidin-1-yl)acetamido)benzofuran-2-carboxylate, methyl 3-[(pyrrolidin-1-ylacetyl)amino]-1-benzofuran-2-carboxylate
| Molecular Formula | C16H18N2O4 |
|---|---|
| Molecular Weight | 302.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.12665 |
| Heavy Atoms | 22 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 309279-73-0 |
|---|---|
| SMILES | COC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)CN3CCCC3 |
| InChIKey | XSPRDAAAUWZMAG-UHFFFAOYSA-N |
Product Overview
3-(2-Pyrrolidin-1-yl-acetylamino)-benzofuran-2-carboxylic acid methyl ester (CAS 309279-73-0), with molecular formula C16H18N2O4 and molecular weight 302.13 g/mol. IUPAC: methyl 3-[(2-pyrrolidin-1-ylacetyl)amino]-1-benzofuran-2-carboxylate.
Chemical Property Profile of 3-(2-Pyrrolidin-1-yl-acetylamino)-benzofuran-2-carboxylic acid methyl ester
Property Insights of 3-(2-Pyrrolidin-1-yl-acetylamino)-benzofuran-2-carboxylic acid methyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Pyrrolidin-1-yl-acetylamino)-benzofuran-2-carboxylic acid methyl ester. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Pyrrolidin-1-yl-acetylamino)-benzofuran-2-carboxylic acid methyl ester. Following Lipinski's Rule of Five, 3-(2-Pyrrolidin-1-yl-acetylamino)-benzofuran-2-carboxylic acid methyl ester 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 3-(2-Pyrrolidin-1-yl-acetylamino)-benzofuran-2-carboxylic acid methyl ester?
The CAS number of 3-(2-Pyrrolidin-1-yl-acetylamino)-benzofuran-2-carboxylic acid methyl ester is 309279-73-0.
What is the molecular formula of 3-(2-Pyrrolidin-1-yl-acetylamino)-benzofuran-2-carboxylic acid methyl ester?
The molecular formula of 3-(2-Pyrrolidin-1-yl-acetylamino)-benzofuran-2-carboxylic acid methyl ester is C16H18N2O4.
What is the molecular weight of 3-(2-Pyrrolidin-1-yl-acetylamino)-benzofuran-2-carboxylic acid methyl ester?
The molecular weight of 3-(2-Pyrrolidin-1-yl-acetylamino)-benzofuran-2-carboxylic acid methyl ester is 302.13 g/mol.
Where can I buy 3-(2-Pyrrolidin-1-yl-acetylamino)-benzofuran-2-carboxylic acid methyl ester?
You can request a quote for 3-(2-Pyrrolidin-1-yl-acetylamino)-benzofuran-2-carboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Pyrrolidin-1-yl-acetylamino)-benzofuran-2-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Pyrrolidin-1-yl-acetylamino)-benzofuran-2-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.