![methyl 4-[7-fluoro-2-(2-hydroxyethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate structure](/static/products/850/850158-83-7.png)
methyl 4-[7-fluoro-2-(2-hydroxyethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate
TL;DR: methyl 4-[7-fluoro-2-(2-hydroxyethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate (CAS 850158-83-7) is a chemical compound with molecular formula C21H16FNO6 and molecular weight 397.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[7-fluoro-2-(2-hydroxyethyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
Also Known As: methyl 4-[7-fluoro-2-(2-hydroxyethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate, methyl 4-[7-fluoro-2-(2-hydroxyethyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate, methyl 4-[7-fluoro-2-(2-hydroxyethyl)-3,9-dioxochromeno[2,3-c]3-pyrrolinyl]ben zoate, methyl 4-(7-fluoro-2-(2-hydroxyethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate
| Molecular Formula | C21H16FNO6 |
|---|---|
| Molecular Weight | 397.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.09616 |
| Heavy Atoms | 29 |
| Complexity | 729.0 |
Chemical Identifiers
| CAS Number | 850158-83-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2C3=C(C(=O)N2CCO)OC4=C(C3=O)C=C(C=C4)F |
| InChIKey | GDDPKEVPBFPRQB-UHFFFAOYSA-N |
Product Overview
methyl 4-[7-fluoro-2-(2-hydroxyethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate (CAS 850158-83-7), with molecular formula C21H16FNO6 and molecular weight 397.10 g/mol. IUPAC: methyl 4-[7-fluoro-2-(2-hydroxyethyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate.
Chemical Property Profile of methyl 4-[7-fluoro-2-(2-hydroxyethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate
Property Insights of methyl 4-[7-fluoro-2-(2-hydroxyethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[7-fluoro-2-(2-hydroxyethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[7-fluoro-2-(2-hydroxyethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate. Following Lipinski's Rule of Five, methyl 4-[7-fluoro-2-(2-hydroxyethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate has 1 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 4-[7-fluoro-2-(2-hydroxyethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate?
The CAS number of methyl 4-[7-fluoro-2-(2-hydroxyethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate is 850158-83-7.
What is the molecular formula of methyl 4-[7-fluoro-2-(2-hydroxyethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate?
The molecular formula of methyl 4-[7-fluoro-2-(2-hydroxyethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate is C21H16FNO6.
What is the molecular weight of methyl 4-[7-fluoro-2-(2-hydroxyethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate?
The molecular weight of methyl 4-[7-fluoro-2-(2-hydroxyethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate is 397.10 g/mol.
Where can I buy methyl 4-[7-fluoro-2-(2-hydroxyethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate?
You can request a quote for methyl 4-[7-fluoro-2-(2-hydroxyethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[7-fluoro-2-(2-hydroxyethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[7-fluoro-2-(2-hydroxyethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.