![methyl 4-(2-(6-isopropylbenzo[d]thiazol-2-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate structure](/static/products/899/899412-34-1.png)
methyl 4-(2-(6-isopropylbenzo[d]thiazol-2-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate
TL;DR: methyl 4-(2-(6-isopropylbenzo[d]thiazol-2-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate (CAS 899412-34-1) is a chemical compound with molecular formula C29H22N2O5S and molecular weight 510.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3,9-dioxo-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
Also Known As: methyl 4-(2-(6-isopropylbenzo[d]thiazol-2-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate, methyl 4-[3,9-dioxo-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate, methyl 4-{3,9-dioxo-2-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl}benzoate
| Molecular Formula | C29H22N2O5S |
|---|---|
| Molecular Weight | 510.12 g/mol |
| LogP | 6.0625 |
| Topological Polar Surface Area | 89.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 510.12494 |
| Heavy Atoms | 37 |
| Complexity | 1767.5454 |
Chemical Identifiers
| CAS Number | 899412-34-1 |
|---|---|
| SMILES | CC(C)C1=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-isopropylbenzo[d]thiazol-2-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate (CAS 899412-34-1), with molecular formula C29H22N2O5S and molecular weight 510.12 g/mol. IUPAC: methyl 4-[3,9-dioxo-2-(6-propan-2-yl-1,3-benzothiazol-2-yl)-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate.
Chemical Property Profile of methyl 4-(2-(6-isopropylbenzo[d]thiazol-2-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate
Property Insights of methyl 4-(2-(6-isopropylbenzo[d]thiazol-2-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate
The XLogP value of 6.0625 indicates that methyl 4-(2-(6-isopropylbenzo[d]thiazol-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 89.71 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(2-(6-isopropylbenzo[d]thiazol-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-isopropylbenzo[d]thiazol-2-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), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 4-(2-(6-isopropylbenzo[d]thiazol-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-isopropylbenzo[d]thiazol-2-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate is 899412-34-1.
What is the molecular formula of methyl 4-(2-(6-isopropylbenzo[d]thiazol-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-isopropylbenzo[d]thiazol-2-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate is C29H22N2O5S.
What is the molecular weight of methyl 4-(2-(6-isopropylbenzo[d]thiazol-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-isopropylbenzo[d]thiazol-2-yl)-3,9-dioxo-1,2,3,9-tetrahydrochromeno[2,3-c]pyrrol-1-yl)benzoate is 510.12 g/mol.
Where can I buy methyl 4-(2-(6-isopropylbenzo[d]thiazol-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-isopropylbenzo[d]thiazol-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-isopropylbenzo[d]thiazol-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-isopropylbenzo[d]thiazol-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.