![methyl 4-{3,9-dioxo-2-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl}benzoate structure](/static/products/6205/620589-63-1.webp)
methyl 4-{3,9-dioxo-2-[5-(propan-2-yl)-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-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl}benzoate (CAS 620589-63-1) is a chemical compound with molecular formula C24H19N3O5S and molecular weight 461.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3,9-dioxo-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
Also Known As: methyl 4-{3,9-dioxo-2-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl}benzoate, Benzoic acid, 4-[1,2,3,9-tetrahydro-2-[5-(1-methylethyl)-1,3,4-thiadiazol-2-yl]-3,9-dioxo[1]benzopyrano[2,3-c]pyrrol-1-yl]-, methyl ester, Methyl 4-[1,2,3,9-tetrahydro-2-[5-(1-methylethyl)-1,3,4-thiadiazol-2-yl]-3,9-dioxo[1]benzopyrano[2,3-c]pyrrol-1-yl]benzoate, methyl 4-[3,9-dioxo-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate, methyl 4-{3,9-dioxo-2-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-yl}benzoate
| Molecular Formula | C24H19N3O5S |
|---|---|
| Molecular Weight | 461.10 g/mol |
| LogP | 4.3043 |
| Topological Polar Surface Area | 102.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 461.10455 |
| Heavy Atoms | 33 |
| Complexity | 1455.2388 |
Chemical Identifiers
| CAS Number | 620589-63-1 |
|---|---|
| SMILES | CC(C)C1=NN=C(S1)N2C(C3=C(C2=O)OC4=CC=CC=C4C3=O)C5=CC=C(C=C5)C(=O)OC |
Product Overview
methyl 4-{3,9-dioxo-2-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl}benzoate (CAS 620589-63-1), with molecular formula C24H19N3O5S and molecular weight 461.10 g/mol. IUPAC: methyl 4-[3,9-dioxo-2-(5-propan-2-yl-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-[5-(propan-2-yl)-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-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl}benzoate
The XLogP value of 4.3043 indicates that methyl 4-{3,9-dioxo-2-[5-(propan-2-yl)-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-[5-(propan-2-yl)-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-[5-(propan-2-yl)-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-[5-(propan-2-yl)-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-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl}benzoate is 620589-63-1.
What is the molecular formula of methyl 4-{3,9-dioxo-2-[5-(propan-2-yl)-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-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl}benzoate is C24H19N3O5S.
What is the molecular weight of methyl 4-{3,9-dioxo-2-[5-(propan-2-yl)-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-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl}benzoate is 461.10 g/mol.
Where can I buy methyl 4-{3,9-dioxo-2-[5-(propan-2-yl)-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-[5-(propan-2-yl)-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-[5-(propan-2-yl)-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-[5-(propan-2-yl)-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.