![methyl 4-(5,7-dichloro-2-(5-methylisoxazol-3-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate structure](/static/products/900/900897-53-2.png)
methyl 4-(5,7-dichloro-2-(5-methylisoxazol-3-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate
TL;DR: methyl 4-(5,7-dichloro-2-(5-methylisoxazol-3-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate (CAS 900897-53-2) is a chemical compound with molecular formula C23H14Cl2N2O6 and molecular weight 484.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
Also Known As: methyl 4-(5,7-dichloro-2-(5-methylisoxazol-3-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate, methyl 4-[5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate, methyl 4-[5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-yl]benzoate, methyl 4-[5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate, methyl 4-[5,7-dichloro-2-(5-methyl-3-isoxazolyl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate
| Molecular Formula | C23H14Cl2N2O6 |
|---|---|
| Molecular Weight | 484.02 g/mol |
| LogP | 4.93262 |
| Topological Polar Surface Area | 102.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 484.0229 |
| Heavy Atoms | 33 |
| Complexity | 1506.1578 |
Chemical Identifiers
| CAS Number | 900897-53-2 |
|---|---|
| SMILES | CC1=CC(=NO1)N2C(C3=C(C2=O)OC4=C(C3=O)C=C(C=C4Cl)Cl)C5=CC=C(C=C5)C(=O)OC |
Product Overview
methyl 4-(5,7-dichloro-2-(5-methylisoxazol-3-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate (CAS 900897-53-2), with molecular formula C23H14Cl2N2O6 and molecular weight 484.02 g/mol. IUPAC: methyl 4-[5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate.
Chemical Property Profile of methyl 4-(5,7-dichloro-2-(5-methylisoxazol-3-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate
Property Insights of methyl 4-(5,7-dichloro-2-(5-methylisoxazol-3-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate
The XLogP value of 4.93262 indicates that methyl 4-(5,7-dichloro-2-(5-methylisoxazol-3-yl)-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 102.85 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(5,7-dichloro-2-(5-methylisoxazol-3-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate. Following Lipinski's Rule of Five, methyl 4-(5,7-dichloro-2-(5-methylisoxazol-3-yl)-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-(5,7-dichloro-2-(5-methylisoxazol-3-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate?
The CAS number of methyl 4-(5,7-dichloro-2-(5-methylisoxazol-3-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate is 900897-53-2.
What is the molecular formula of methyl 4-(5,7-dichloro-2-(5-methylisoxazol-3-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate?
The molecular formula of methyl 4-(5,7-dichloro-2-(5-methylisoxazol-3-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate is C23H14Cl2N2O6.
What is the molecular weight of methyl 4-(5,7-dichloro-2-(5-methylisoxazol-3-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate?
The molecular weight of methyl 4-(5,7-dichloro-2-(5-methylisoxazol-3-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate is 484.02 g/mol.
Where can I buy methyl 4-(5,7-dichloro-2-(5-methylisoxazol-3-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate?
You can request a quote for methyl 4-(5,7-dichloro-2-(5-methylisoxazol-3-yl)-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-(5,7-dichloro-2-(5-methylisoxazol-3-yl)-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-(5,7-dichloro-2-(5-methylisoxazol-3-yl)-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.