![methyl 4-[2-(6-methoxy-1,3-benzothiazol-2-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate structure](/static/products/874/874455-77-3.png)
methyl 4-[2-(6-methoxy-1,3-benzothiazol-2-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate
TL;DR: methyl 4-[2-(6-methoxy-1,3-benzothiazol-2-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate (CAS 874455-77-3) is a chemical compound with molecular formula C27H18N2O6S and molecular weight 498.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-(6-methoxy-1,3-benzothiazol-2-yl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
Also Known As: methyl 4-[2-(6-methoxy-1,3-benzothiazol-2-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate, methyl 4-[2-(6-methoxybenzothiazol-2-yl)-3,9-dioxochromeno[2,3-c]3-pyrrolinyl] benzoate, methyl 4-(2-(6-methoxybenzo[d]thiazol-2-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate, methyl 4-[2-(6-methoxy-1,3-benzothiazol-2-yl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
| Molecular Formula | C27H18N2O6S |
|---|---|
| Molecular Weight | 498.09 g/mol |
| LogP | 4.9477 |
| Topological Polar Surface Area | 98.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 498.08856 |
| Heavy Atoms | 36 |
| Complexity | 1737.6354 |
Chemical Identifiers
| CAS Number | 874455-77-3 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)N=C(S2)N3C(C4=C(C3=O)OC5=CC=CC=C5C4=O)C6=CC=C(C=C6)C(=O)OC |
Product Overview
methyl 4-[2-(6-methoxy-1,3-benzothiazol-2-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate (CAS 874455-77-3), with molecular formula C27H18N2O6S and molecular weight 498.09 g/mol. IUPAC: methyl 4-[2-(6-methoxy-1,3-benzothiazol-2-yl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate.
Chemical Property Profile of methyl 4-[2-(6-methoxy-1,3-benzothiazol-2-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate
Property Insights of methyl 4-[2-(6-methoxy-1,3-benzothiazol-2-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate
The XLogP value of 4.9477 indicates that methyl 4-[2-(6-methoxy-1,3-benzothiazol-2-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 98.94 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[2-(6-methoxy-1,3-benzothiazol-2-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate. Following Lipinski's Rule of Five, methyl 4-[2-(6-methoxy-1,3-benzothiazol-2-yl)-3,9-dioxo-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-[2-(6-methoxy-1,3-benzothiazol-2-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate?
The CAS number of methyl 4-[2-(6-methoxy-1,3-benzothiazol-2-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate is 874455-77-3.
What is the molecular formula of methyl 4-[2-(6-methoxy-1,3-benzothiazol-2-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate?
The molecular formula of methyl 4-[2-(6-methoxy-1,3-benzothiazol-2-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate is C27H18N2O6S.
What is the molecular weight of methyl 4-[2-(6-methoxy-1,3-benzothiazol-2-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate?
The molecular weight of methyl 4-[2-(6-methoxy-1,3-benzothiazol-2-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate is 498.09 g/mol.
Where can I buy methyl 4-[2-(6-methoxy-1,3-benzothiazol-2-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl]benzoate?
You can request a quote for methyl 4-[2-(6-methoxy-1,3-benzothiazol-2-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-[2-(6-methoxy-1,3-benzothiazol-2-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-[2-(6-methoxy-1,3-benzothiazol-2-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.