![methyl 4-[7-chloro-2-(2-hydroxy-2-phenylethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate structure](/static/products/850/850186-75-3.png)
methyl 4-[7-chloro-2-(2-hydroxy-2-phenylethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate
TL;DR: methyl 4-[7-chloro-2-(2-hydroxy-2-phenylethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate (CAS 850186-75-3) is a chemical compound with molecular formula C27H20ClNO6 and molecular weight 489.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[7-chloro-2-(2-hydroxy-2-phenylethyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
Also Known As: methyl 4-[7-chloro-2-(2-hydroxy-2-phenylethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate, methyl 4-(7-chloro-2-(2-hydroxy-2-phenylethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate, methyl 4-[7-chloro-2-(2-hydroxy-2-phenylethyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate, methyl 4-[7-chloro-2-(2-hydroxy-2-phenylethyl)-3,9-dioxochromeno[2,3-c]3-pyrro linyl]benzoate
| Molecular Formula | C27H20ClNO6 |
|---|---|
| Molecular Weight | 489.10 g/mol |
| LogP | 4.5118 |
| Topological Polar Surface Area | 97.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 489.0979 |
| Heavy Atoms | 35 |
| Complexity | 1496.3931 |
Chemical Identifiers
| CAS Number | 850186-75-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2C3=C(C(=O)N2CC(C4=CC=CC=C4)O)OC5=C(C3=O)C=C(C=C5)Cl |
Product Overview
methyl 4-[7-chloro-2-(2-hydroxy-2-phenylethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate (CAS 850186-75-3), with molecular formula C27H20ClNO6 and molecular weight 489.10 g/mol. IUPAC: methyl 4-[7-chloro-2-(2-hydroxy-2-phenylethyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate.
Chemical Property Profile of methyl 4-[7-chloro-2-(2-hydroxy-2-phenylethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate
Property Insights of methyl 4-[7-chloro-2-(2-hydroxy-2-phenylethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate
The XLogP value of 4.5118 indicates that methyl 4-[7-chloro-2-(2-hydroxy-2-phenylethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.05 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[7-chloro-2-(2-hydroxy-2-phenylethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate. Following Lipinski's Rule of Five, methyl 4-[7-chloro-2-(2-hydroxy-2-phenylethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate 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-[7-chloro-2-(2-hydroxy-2-phenylethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate?
The CAS number of methyl 4-[7-chloro-2-(2-hydroxy-2-phenylethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate is 850186-75-3.
What is the molecular formula of methyl 4-[7-chloro-2-(2-hydroxy-2-phenylethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate?
The molecular formula of methyl 4-[7-chloro-2-(2-hydroxy-2-phenylethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate is C27H20ClNO6.
What is the molecular weight of methyl 4-[7-chloro-2-(2-hydroxy-2-phenylethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate?
The molecular weight of methyl 4-[7-chloro-2-(2-hydroxy-2-phenylethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate is 489.10 g/mol.
Where can I buy methyl 4-[7-chloro-2-(2-hydroxy-2-phenylethyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate?
You can request a quote for methyl 4-[7-chloro-2-(2-hydroxy-2-phenylethyl)-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-chloro-2-(2-hydroxy-2-phenylethyl)-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-chloro-2-(2-hydroxy-2-phenylethyl)-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.