![methyl 4-[3,9-dioxo-2-(1,3,4-thiadiazol-2-yl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate structure](/static/products/879/879911-39-4.png)
methyl 4-[3,9-dioxo-2-(1,3,4-thiadiazol-2-yl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate
TL;DR: methyl 4-[3,9-dioxo-2-(1,3,4-thiadiazol-2-yl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate (CAS 879911-39-4) is a chemical compound with molecular formula C21H13N3O5S and molecular weight 419.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3,9-dioxo-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
Also Known As: methyl 4-[3,9-dioxo-2-(1,3,4-thiadiazol-2-yl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate, methyl 4-[3,9-dioxo-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate, methyl 4-[3,9-dioxo-2-(1,3,4-thiadiazol-2-yl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-yl]benzoate
| Molecular Formula | C21H13N3O5S |
|---|---|
| Molecular Weight | 419.06 g/mol |
| LogP | 3.1809 |
| Topological Polar Surface Area | 102.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.0576 |
| Heavy Atoms | 30 |
| Complexity | 1345.587 |
Chemical Identifiers
| CAS Number | 879911-39-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2C3=C(C(=O)N2C4=NN=CS4)OC5=CC=CC=C5C3=O |
Product Overview
methyl 4-[3,9-dioxo-2-(1,3,4-thiadiazol-2-yl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate (CAS 879911-39-4), with molecular formula C21H13N3O5S and molecular weight 419.06 g/mol. IUPAC: methyl 4-[3,9-dioxo-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate.
Chemical Property Profile of methyl 4-[3,9-dioxo-2-(1,3,4-thiadiazol-2-yl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate
Property Insights of methyl 4-[3,9-dioxo-2-(1,3,4-thiadiazol-2-yl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate
The XLogP value of 3.1809 indicates that methyl 4-[3,9-dioxo-2-(1,3,4-thiadiazol-2-yl)-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 102.6 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[3,9-dioxo-2-(1,3,4-thiadiazol-2-yl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate. Following Lipinski's Rule of Five, methyl 4-[3,9-dioxo-2-(1,3,4-thiadiazol-2-yl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate has 0 hydrogen bond donor(s) and 8 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-[3,9-dioxo-2-(1,3,4-thiadiazol-2-yl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate?
The CAS number of methyl 4-[3,9-dioxo-2-(1,3,4-thiadiazol-2-yl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate is 879911-39-4.
What is the molecular formula of methyl 4-[3,9-dioxo-2-(1,3,4-thiadiazol-2-yl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate?
The molecular formula of methyl 4-[3,9-dioxo-2-(1,3,4-thiadiazol-2-yl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate is C21H13N3O5S.
What is the molecular weight of methyl 4-[3,9-dioxo-2-(1,3,4-thiadiazol-2-yl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate?
The molecular weight of methyl 4-[3,9-dioxo-2-(1,3,4-thiadiazol-2-yl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate is 419.06 g/mol.
Where can I buy methyl 4-[3,9-dioxo-2-(1,3,4-thiadiazol-2-yl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate?
You can request a quote for methyl 4-[3,9-dioxo-2-(1,3,4-thiadiazol-2-yl)-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-[3,9-dioxo-2-(1,3,4-thiadiazol-2-yl)-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[3,9-dioxo-2-(1,3,4-thiadiazol-2-yl)-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.