![2-(3-(4-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile structure](/static/products/1005/1005266-96-5.webp)
2-(3-(4-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
TL;DR: 2-(3-(4-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile (CAS 1005266-96-5) is a chemical compound with molecular formula C27H23N3O4S and molecular weight 485.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-methoxyphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Also Known As: 2-(3-(4-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile, 2-[3-(4-methoxyphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, F1199-0115, 2-[3-(4-methoxyphenyl)-4,6-dioxo-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, 2-[3-(4-methoxyphenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
| Molecular Formula | C27H23N3O4S |
|---|---|
| Molecular Weight | 485.14 g/mol |
| LogP | 4.55828 |
| Topological Polar Surface Area | 82.87 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 485.14093 |
| Heavy Atoms | 35 |
| Complexity | 1345.2411 |
Chemical Identifiers
| CAS Number | 1005266-96-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=C(C5=C(S4)CCCC5)C#N)ON2C6=CC=CC=C6 |
Product Overview
2-(3-(4-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile (CAS 1005266-96-5), with molecular formula C27H23N3O4S and molecular weight 485.14 g/mol. IUPAC: 2-[3-(4-methoxyphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile.
Chemical Property Profile of 2-(3-(4-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
Property Insights of 2-(3-(4-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
The XLogP value of 4.55828 indicates that 2-(3-(4-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-(4-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile. Following Lipinski's Rule of Five, 2-(3-(4-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile 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 2-(3-(4-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile?
The CAS number of 2-(3-(4-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile is 1005266-96-5.
What is the molecular formula of 2-(3-(4-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile?
The molecular formula of 2-(3-(4-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile is C27H23N3O4S.
What is the molecular weight of 2-(3-(4-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile?
The molecular weight of 2-(3-(4-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile is 485.14 g/mol.
Where can I buy 2-(3-(4-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile?
You can request a quote for 2-(3-(4-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-(4-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-(4-methoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.