![methyl 4-[7-chloro-3,9-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate structure](/static/products/874/874463-64-6.png)
methyl 4-[7-chloro-3,9-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate
TL;DR: methyl 4-[7-chloro-3,9-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate (CAS 874463-64-6) is a chemical compound with molecular formula C25H17ClN2O5 and molecular weight 460.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[7-chloro-3,9-dioxo-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
Also Known As: methyl 4-[7-chloro-3,9-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate, methyl 4-[7-chloro-3,9-dioxo-2-(3-pyridylmethyl)chromeno[2,3-c]3-pyrrolinyl]be nzoate, methyl 4-(7-chloro-3,9-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate, methyl 4-[7-chloro-3,9-dioxo-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
| Molecular Formula | C25H17ClN2O5 |
|---|---|
| Molecular Weight | 460.08 g/mol |
| LogP | 4.3734 |
| Topological Polar Surface Area | 89.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 460.0826 |
| Heavy Atoms | 33 |
| Complexity | 1447.8942 |
Chemical Identifiers
| CAS Number | 874463-64-6 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2C3=C(C(=O)N2CC4=CN=CC=C4)OC5=C(C3=O)C=C(C=C5)Cl |
Product Overview
methyl 4-[7-chloro-3,9-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate (CAS 874463-64-6), with molecular formula C25H17ClN2O5 and molecular weight 460.08 g/mol. IUPAC: methyl 4-[7-chloro-3,9-dioxo-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate.
Chemical Property Profile of methyl 4-[7-chloro-3,9-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate
Property Insights of methyl 4-[7-chloro-3,9-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate
The XLogP value of 4.3734 indicates that methyl 4-[7-chloro-3,9-dioxo-2-(pyridin-3-ylmethyl)-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 89.71 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[7-chloro-3,9-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate. Following Lipinski's Rule of Five, methyl 4-[7-chloro-3,9-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate has 0 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-3,9-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate?
The CAS number of methyl 4-[7-chloro-3,9-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate is 874463-64-6.
What is the molecular formula of methyl 4-[7-chloro-3,9-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate?
The molecular formula of methyl 4-[7-chloro-3,9-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate is C25H17ClN2O5.
What is the molecular weight of methyl 4-[7-chloro-3,9-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate?
The molecular weight of methyl 4-[7-chloro-3,9-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate is 460.08 g/mol.
Where can I buy methyl 4-[7-chloro-3,9-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate?
You can request a quote for methyl 4-[7-chloro-3,9-dioxo-2-(pyridin-3-ylmethyl)-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-3,9-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[7-chloro-3,9-dioxo-2-(pyridin-3-ylmethyl)-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.