![2-(2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,6-dioxotetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile structure](/static/products/1005/1005057-92-0.webp)
2-(2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,6-dioxotetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
TL;DR: 2-(2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,6-dioxotetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile (CAS 1005057-92-0) is a chemical compound with molecular formula C27H22ClN3O4S and molecular weight 519.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,6-dioxo-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-(2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,6-dioxotetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile, 2-[2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, F1275-0047, 2-[2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, 2-[2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,6-dioxohexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
| Molecular Formula | C27H22ClN3O4S |
|---|---|
| Molecular Weight | 519.10 g/mol |
| LogP | 5.21168 |
| Topological Polar Surface Area | 82.87 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 519.1019 |
| Heavy Atoms | 36 |
| Complexity | 1396.1122 |
Chemical Identifiers
| CAS Number | 1005057-92-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=C(C5=C(S4)CCCC5)C#N)ON2C6=CC=C(C=C6)Cl |
Product Overview
2-(2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,6-dioxotetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile (CAS 1005057-92-0), with molecular formula C27H22ClN3O4S and molecular weight 519.10 g/mol. IUPAC: 2-[2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,6-dioxo-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-(2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,6-dioxotetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
Property Insights of 2-(2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,6-dioxotetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
The XLogP value of 5.21168 indicates that 2-(2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,6-dioxotetrahydro-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-(2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,6-dioxotetrahydro-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-(2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,6-dioxotetrahydro-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), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,6-dioxotetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile?
The CAS number of 2-(2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,6-dioxotetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile is 1005057-92-0.
What is the molecular formula of 2-(2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,6-dioxotetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile?
The molecular formula of 2-(2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,6-dioxotetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile is C27H22ClN3O4S.
What is the molecular weight of 2-(2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,6-dioxotetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile?
The molecular weight of 2-(2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,6-dioxotetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile is 519.10 g/mol.
Where can I buy 2-(2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,6-dioxotetrahydro-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-(2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,6-dioxotetrahydro-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-(2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,6-dioxotetrahydro-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-(2-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,6-dioxotetrahydro-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.