Methyl 4-(3-amino-5-methoxy-1-benzofuran-2-yl)-4-oxobutanoate
TL;DR: Methyl 4-(3-amino-5-methoxy-1-benzofuran-2-yl)-4-oxobutanoate (CAS 799263-70-0) is a chemical compound with molecular formula C14H15NO5 and molecular weight 277.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3-amino-5-methoxy-1-benzofuran-2-yl)-4-oxobutanoate
Also Known As: ChemDiv3_006574, BAS 07119758, IDI1_024484, methyl 4-(3-amino-5-methoxy-1-benzofuran-2-yl)-4-oxobutanoate, BRD-K64648475-001-01-8
| Molecular Formula | C14H15NO5 |
|---|---|
| Molecular Weight | 277.10 g/mol |
| LogP | 2.1595 |
| Topological Polar Surface Area | 91.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 277.09503 |
| Heavy Atoms | 20 |
| Complexity | 658.87317 |
Chemical Identifiers
| CAS Number | 799263-70-0 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)OC(=C2N)C(=O)CCC(=O)OC |
Product Overview
Methyl 4-(3-amino-5-methoxy-1-benzofuran-2-yl)-4-oxobutanoate (CAS 799263-70-0), with molecular formula C14H15NO5 and molecular weight 277.10 g/mol. IUPAC: methyl 4-(3-amino-5-methoxy-1-benzofuran-2-yl)-4-oxobutanoate.
Chemical Property Profile of Methyl 4-(3-amino-5-methoxy-1-benzofuran-2-yl)-4-oxobutanoate
Property Insights of Methyl 4-(3-amino-5-methoxy-1-benzofuran-2-yl)-4-oxobutanoate
The XLogP value of 2.1595 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(3-amino-5-methoxy-1-benzofuran-2-yl)-4-oxobutanoate. The TPSA of 91.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(3-amino-5-methoxy-1-benzofuran-2-yl)-4-oxobutanoate. Following Lipinski's Rule of Five, Methyl 4-(3-amino-5-methoxy-1-benzofuran-2-yl)-4-oxobutanoate has 1 hydrogen bond donor(s) and 6 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 Methyl 4-(3-amino-5-methoxy-1-benzofuran-2-yl)-4-oxobutanoate?
The CAS number of Methyl 4-(3-amino-5-methoxy-1-benzofuran-2-yl)-4-oxobutanoate is 799263-70-0.
What is the molecular formula of Methyl 4-(3-amino-5-methoxy-1-benzofuran-2-yl)-4-oxobutanoate?
The molecular formula of Methyl 4-(3-amino-5-methoxy-1-benzofuran-2-yl)-4-oxobutanoate is C14H15NO5.
What is the molecular weight of Methyl 4-(3-amino-5-methoxy-1-benzofuran-2-yl)-4-oxobutanoate?
The molecular weight of Methyl 4-(3-amino-5-methoxy-1-benzofuran-2-yl)-4-oxobutanoate is 277.10 g/mol.
Where can I buy Methyl 4-(3-amino-5-methoxy-1-benzofuran-2-yl)-4-oxobutanoate?
You can request a quote for Methyl 4-(3-amino-5-methoxy-1-benzofuran-2-yl)-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(3-amino-5-methoxy-1-benzofuran-2-yl)-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(3-amino-5-methoxy-1-benzofuran-2-yl)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.