(3-Amino-5-methoxy-1-benzofuran-2-yl)(cyclopropyl)methanone
TL;DR: (3-Amino-5-methoxy-1-benzofuran-2-yl)(cyclopropyl)methanone (CAS 696629-76-2) is a chemical compound with molecular formula C13H13NO3 and molecular weight 231.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-amino-5-methoxy-1-benzofuran-2-yl)-cyclopropylmethanone
Also Known As: (3-amino-5-methoxy-1-benzofuran-2-yl)(cyclopropyl)methanone, (3-amino-5-methoxybenzofuran-2-yl)(cyclopropyl)methanone, 3-amino-5-methoxybenzo[d]furan-2-yl cyclopropyl ketone, (3-amino-5-methoxy-1-benzofuran-2-yl)-cyclopropylmethanone, A3590/0152236
| Molecular Formula | C13H13NO3 |
|---|---|
| Molecular Weight | 231.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.08954 |
| Heavy Atoms | 17 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 696629-76-2 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)OC(=C2N)C(=O)C3CC3 |
| InChIKey | IDGJAOSBVMWCRL-UHFFFAOYSA-N |
Product Overview
(3-Amino-5-methoxy-1-benzofuran-2-yl)(cyclopropyl)methanone (CAS 696629-76-2), with molecular formula C13H13NO3 and molecular weight 231.09 g/mol. IUPAC: (3-amino-5-methoxy-1-benzofuran-2-yl)-cyclopropylmethanone.
Chemical Property Profile of (3-Amino-5-methoxy-1-benzofuran-2-yl)(cyclopropyl)methanone
Property Insights of (3-Amino-5-methoxy-1-benzofuran-2-yl)(cyclopropyl)methanone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Amino-5-methoxy-1-benzofuran-2-yl)(cyclopropyl)methanone. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Amino-5-methoxy-1-benzofuran-2-yl)(cyclopropyl)methanone. Following Lipinski's Rule of Five, (3-Amino-5-methoxy-1-benzofuran-2-yl)(cyclopropyl)methanone 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 (3-Amino-5-methoxy-1-benzofuran-2-yl)(cyclopropyl)methanone?
The CAS number of (3-Amino-5-methoxy-1-benzofuran-2-yl)(cyclopropyl)methanone is 696629-76-2.
What is the molecular formula of (3-Amino-5-methoxy-1-benzofuran-2-yl)(cyclopropyl)methanone?
The molecular formula of (3-Amino-5-methoxy-1-benzofuran-2-yl)(cyclopropyl)methanone is C13H13NO3.
What is the molecular weight of (3-Amino-5-methoxy-1-benzofuran-2-yl)(cyclopropyl)methanone?
The molecular weight of (3-Amino-5-methoxy-1-benzofuran-2-yl)(cyclopropyl)methanone is 231.09 g/mol.
Where can I buy (3-Amino-5-methoxy-1-benzofuran-2-yl)(cyclopropyl)methanone?
You can request a quote for (3-Amino-5-methoxy-1-benzofuran-2-yl)(cyclopropyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Amino-5-methoxy-1-benzofuran-2-yl)(cyclopropyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3-Amino-5-methoxy-1-benzofuran-2-yl)(cyclopropyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.