methyl N-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)tryptophanate
TL;DR: methyl N-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)tryptophanate (CAS 1008282-21-0) is a chemical compound with molecular formula C22H22N2O6 and molecular weight 410.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-3-(1H-indol-3-yl)propanoate
Also Known As: ChemDiv2_004695, IDI1_003410, methyl N-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)tryptophanate, methyl 2-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-3-(1H-indol-3-yl)propanoate, methyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-3-(1H-indol-3-yl)propanoate
| Molecular Formula | C22H22N2O6 |
|---|---|
| Molecular Weight | 410.15 g/mol |
| LogP | 2.728 |
| Topological Polar Surface Area | 98.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 410.1478 |
| Heavy Atoms | 30 |
| Complexity | 1106.2009 |
Chemical Identifiers
| CAS Number | 1008282-21-0 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C(OC2=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OC)OC |
Product Overview
methyl N-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)tryptophanate (CAS 1008282-21-0), with molecular formula C22H22N2O6 and molecular weight 410.15 g/mol. IUPAC: methyl 2-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-3-(1H-indol-3-yl)propanoate.
Chemical Property Profile of methyl N-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)tryptophanate
Property Insights of methyl N-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)tryptophanate
The XLogP value of 2.728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)tryptophanate. The TPSA of 98.88 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)tryptophanate. Following Lipinski's Rule of Five, methyl N-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)tryptophanate has 2 hydrogen bond donor(s) and 7 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 N-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)tryptophanate?
The CAS number of methyl N-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)tryptophanate is 1008282-21-0.
What is the molecular formula of methyl N-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)tryptophanate?
The molecular formula of methyl N-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)tryptophanate is C22H22N2O6.
What is the molecular weight of methyl N-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)tryptophanate?
The molecular weight of methyl N-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)tryptophanate is 410.15 g/mol.
Where can I buy methyl N-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)tryptophanate?
You can request a quote for methyl N-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)tryptophanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)tryptophanate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)tryptophanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.