![(3aR,4S,9aR,9bS)-2-(4-chlorophenyl)-1,3-dioxo-4-(phenylcarbonyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile structure](/static/products/956/956978-79-3.png)
(3aR,4S,9aR,9bS)-2-(4-chlorophenyl)-1,3-dioxo-4-(phenylcarbonyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile
TL;DR: (3aR,4S,9aR,9bS)-2-(4-chlorophenyl)-1,3-dioxo-4-(phenylcarbonyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile (CAS 956978-79-3) is a chemical compound with molecular formula C24H16ClN3O3 and molecular weight 429.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,4S,9aR,9bS)-4-benzoyl-2-(4-chlorophenyl)-1,3-dioxo-3a,4,9a,9b-tetrahydropyrrolo[3,4-a]indolizine-8-carbonitrile
Also Known As: (3aR,4S,9aR,9bS)-2-(4-chlorophenyl)-1,3-dioxo-4-(phenylcarbonyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile, (3aR,4S,9aR,9bS)-4-benzoyl-2-(4-chlorophenyl)-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile, (3aR,4S,9aR,9bS)-4-benzoyl-2-(4-chlorophenyl)-1,3-dioxo-3a,4,9a,9b-tetrahydropyrrolo[3,4-a]indolizine-8-carbonitrile
| Molecular Formula | C24H16ClN3O3 |
|---|---|
| Molecular Weight | 429.09 g/mol |
| LogP | 3.35858 |
| Topological Polar Surface Area | 81.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 429.088 |
| Heavy Atoms | 31 |
| Complexity | 1196.8253 |
Chemical Identifiers
| CAS Number | 956978-79-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)[C@@H]2[C@H]3[C@@H]([C@@H]4N2C=CC(=C4)C#N)C(=O)N(C3=O)C5=CC=C(C=C5)Cl |
Product Overview
(3aR,4S,9aR,9bS)-2-(4-chlorophenyl)-1,3-dioxo-4-(phenylcarbonyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile (CAS 956978-79-3), with molecular formula C24H16ClN3O3 and molecular weight 429.09 g/mol. IUPAC: (3aR,4S,9aR,9bS)-4-benzoyl-2-(4-chlorophenyl)-1,3-dioxo-3a,4,9a,9b-tetrahydropyrrolo[3,4-a]indolizine-8-carbonitrile.
Chemical Property Profile of (3aR,4S,9aR,9bS)-2-(4-chlorophenyl)-1,3-dioxo-4-(phenylcarbonyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile
Property Insights of (3aR,4S,9aR,9bS)-2-(4-chlorophenyl)-1,3-dioxo-4-(phenylcarbonyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile
The XLogP value of 3.35858 indicates that (3aR,4S,9aR,9bS)-2-(4-chlorophenyl)-1,3-dioxo-4-(phenylcarbonyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.48 Ų falls within the moderate polarity range, balancing permeability and solubility for (3aR,4S,9aR,9bS)-2-(4-chlorophenyl)-1,3-dioxo-4-(phenylcarbonyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile. Following Lipinski's Rule of Five, (3aR,4S,9aR,9bS)-2-(4-chlorophenyl)-1,3-dioxo-4-(phenylcarbonyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile has 0 hydrogen bond donor(s) and 5 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 (3aR,4S,9aR,9bS)-2-(4-chlorophenyl)-1,3-dioxo-4-(phenylcarbonyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile?
The CAS number of (3aR,4S,9aR,9bS)-2-(4-chlorophenyl)-1,3-dioxo-4-(phenylcarbonyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile is 956978-79-3.
What is the molecular formula of (3aR,4S,9aR,9bS)-2-(4-chlorophenyl)-1,3-dioxo-4-(phenylcarbonyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile?
The molecular formula of (3aR,4S,9aR,9bS)-2-(4-chlorophenyl)-1,3-dioxo-4-(phenylcarbonyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile is C24H16ClN3O3.
What is the molecular weight of (3aR,4S,9aR,9bS)-2-(4-chlorophenyl)-1,3-dioxo-4-(phenylcarbonyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile?
The molecular weight of (3aR,4S,9aR,9bS)-2-(4-chlorophenyl)-1,3-dioxo-4-(phenylcarbonyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile is 429.09 g/mol.
Where can I buy (3aR,4S,9aR,9bS)-2-(4-chlorophenyl)-1,3-dioxo-4-(phenylcarbonyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile?
You can request a quote for (3aR,4S,9aR,9bS)-2-(4-chlorophenyl)-1,3-dioxo-4-(phenylcarbonyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3aR,4S,9aR,9bS)-2-(4-chlorophenyl)-1,3-dioxo-4-(phenylcarbonyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (3aR,4S,9aR,9bS)-2-(4-chlorophenyl)-1,3-dioxo-4-(phenylcarbonyl)-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.