![methyl 4-[7-chloro-2-(3-morpholin-4-ylpropyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate structure](/static/products/631/631882-86-5.png)
methyl 4-[7-chloro-2-(3-morpholin-4-ylpropyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate
TL;DR: methyl 4-[7-chloro-2-(3-morpholin-4-ylpropyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate (CAS 631882-86-5) is a chemical compound with molecular formula C26H25ClN2O6 and molecular weight 496.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[7-chloro-2-(3-morpholin-4-ylpropyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
Also Known As: methyl 4-[7-chloro-2-(3-morpholin-4-ylpropyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate, methyl 4-[7-chloro-2-(3-morpholin-4-ylpropyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate, methyl 4-{7-chloro-2-[3-(morpholin-4-yl)propyl]-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl}benzoate, methyl 4-{7-chloro-2-[3-(morpholin-4-yl)propyl]-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-yl}benzoate
| Molecular Formula | C26H25ClN2O6 |
|---|---|
| Molecular Weight | 496.14 g/mol |
| LogP | 3.5005 |
| Topological Polar Surface Area | 89.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.1401 |
| Heavy Atoms | 35 |
| Complexity | 1330.1617 |
Chemical Identifiers
| CAS Number | 631882-86-5 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2C3=C(C(=O)N2CCCN4CCOCC4)OC5=C(C3=O)C=C(C=C5)Cl |
Product Overview
methyl 4-[7-chloro-2-(3-morpholin-4-ylpropyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate (CAS 631882-86-5), with molecular formula C26H25ClN2O6 and molecular weight 496.14 g/mol. IUPAC: methyl 4-[7-chloro-2-(3-morpholin-4-ylpropyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate.
Chemical Property Profile of methyl 4-[7-chloro-2-(3-morpholin-4-ylpropyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate
Property Insights of methyl 4-[7-chloro-2-(3-morpholin-4-ylpropyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate
The XLogP value of 3.5005 indicates that methyl 4-[7-chloro-2-(3-morpholin-4-ylpropyl)-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 89.29 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[7-chloro-2-(3-morpholin-4-ylpropyl)-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-(3-morpholin-4-ylpropyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate has 0 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-chloro-2-(3-morpholin-4-ylpropyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate?
The CAS number of methyl 4-[7-chloro-2-(3-morpholin-4-ylpropyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate is 631882-86-5.
What is the molecular formula of methyl 4-[7-chloro-2-(3-morpholin-4-ylpropyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate?
The molecular formula of methyl 4-[7-chloro-2-(3-morpholin-4-ylpropyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate is C26H25ClN2O6.
What is the molecular weight of methyl 4-[7-chloro-2-(3-morpholin-4-ylpropyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate?
The molecular weight of methyl 4-[7-chloro-2-(3-morpholin-4-ylpropyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate is 496.14 g/mol.
Where can I buy methyl 4-[7-chloro-2-(3-morpholin-4-ylpropyl)-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-(3-morpholin-4-ylpropyl)-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-(3-morpholin-4-ylpropyl)-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-(3-morpholin-4-ylpropyl)-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.