![(6aR,8S,9S)-9-benzoyl-8-(pyridin-3-yl)-8,9-dihydropyrrolo[1,2-a][1,5]naphthyridine-7,7(6aH)-dicarbonitrile structure](/static/products/121/1212442-40-4.png)
(6aR,8S,9S)-9-benzoyl-8-(pyridin-3-yl)-8,9-dihydropyrrolo[1,2-a][1,5]naphthyridine-7,7(6aH)-dicarbonitrile
TL;DR: (6aR,8S,9S)-9-benzoyl-8-(pyridin-3-yl)-8,9-dihydropyrrolo[1,2-a][1,5]naphthyridine-7,7(6aH)-dicarbonitrile (CAS 1212442-40-4) is a chemical compound with molecular formula C25H17N5O and molecular weight 403.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,8S,9S)-9-benzoyl-8-pyridin-3-yl-8,9-dihydro-6aH-pyrrolo[1,2-a][1,5]naphthyridine-7,7-dicarbonitrile
Also Known As: (6aR,8S,9S)-9-benzoyl-8-(pyridin-3-yl)-8,9-dihydropyrrolo[1,2-a][1,5]naphthyridine-7,7(6aH)-dicarbonitrile, (6aR,8S,9S)-9-benzoyl-8-pyridin-3-yl-8,9-dihydro-6aH-pyrrolo[1,2-a][1,5]naphthyridine-7,7-dicarbonitrile
| Molecular Formula | C25H17N5O |
|---|---|
| Molecular Weight | 403.14 g/mol |
| LogP | 3.76086 |
| Topological Polar Surface Area | 93.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.1433 |
| Heavy Atoms | 31 |
| Complexity | 1242.32 |
Chemical Identifiers
| CAS Number | 1212442-40-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)[C@@H]2[C@H](C([C@@H]3N2C4=C(C=C3)N=CC=C4)(C#N)C#N)C5=CN=CC=C5 |
Product Overview
(6aR,8S,9S)-9-benzoyl-8-(pyridin-3-yl)-8,9-dihydropyrrolo[1,2-a][1,5]naphthyridine-7,7(6aH)-dicarbonitrile (CAS 1212442-40-4), with molecular formula C25H17N5O and molecular weight 403.14 g/mol. IUPAC: (6aR,8S,9S)-9-benzoyl-8-pyridin-3-yl-8,9-dihydro-6aH-pyrrolo[1,2-a][1,5]naphthyridine-7,7-dicarbonitrile.
Chemical Property Profile of (6aR,8S,9S)-9-benzoyl-8-(pyridin-3-yl)-8,9-dihydropyrrolo[1,2-a][1,5]naphthyridine-7,7(6aH)-dicarbonitrile
Property Insights of (6aR,8S,9S)-9-benzoyl-8-(pyridin-3-yl)-8,9-dihydropyrrolo[1,2-a][1,5]naphthyridine-7,7(6aH)-dicarbonitrile
The XLogP value of 3.76086 indicates that (6aR,8S,9S)-9-benzoyl-8-(pyridin-3-yl)-8,9-dihydropyrrolo[1,2-a][1,5]naphthyridine-7,7(6aH)-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.67 Ų falls within the moderate polarity range, balancing permeability and solubility for (6aR,8S,9S)-9-benzoyl-8-(pyridin-3-yl)-8,9-dihydropyrrolo[1,2-a][1,5]naphthyridine-7,7(6aH)-dicarbonitrile. Following Lipinski's Rule of Five, (6aR,8S,9S)-9-benzoyl-8-(pyridin-3-yl)-8,9-dihydropyrrolo[1,2-a][1,5]naphthyridine-7,7(6aH)-dicarbonitrile has 0 hydrogen bond donor(s) and 6 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 (6aR,8S,9S)-9-benzoyl-8-(pyridin-3-yl)-8,9-dihydropyrrolo[1,2-a][1,5]naphthyridine-7,7(6aH)-dicarbonitrile?
The CAS number of (6aR,8S,9S)-9-benzoyl-8-(pyridin-3-yl)-8,9-dihydropyrrolo[1,2-a][1,5]naphthyridine-7,7(6aH)-dicarbonitrile is 1212442-40-4.
What is the molecular formula of (6aR,8S,9S)-9-benzoyl-8-(pyridin-3-yl)-8,9-dihydropyrrolo[1,2-a][1,5]naphthyridine-7,7(6aH)-dicarbonitrile?
The molecular formula of (6aR,8S,9S)-9-benzoyl-8-(pyridin-3-yl)-8,9-dihydropyrrolo[1,2-a][1,5]naphthyridine-7,7(6aH)-dicarbonitrile is C25H17N5O.
What is the molecular weight of (6aR,8S,9S)-9-benzoyl-8-(pyridin-3-yl)-8,9-dihydropyrrolo[1,2-a][1,5]naphthyridine-7,7(6aH)-dicarbonitrile?
The molecular weight of (6aR,8S,9S)-9-benzoyl-8-(pyridin-3-yl)-8,9-dihydropyrrolo[1,2-a][1,5]naphthyridine-7,7(6aH)-dicarbonitrile is 403.14 g/mol.
Where can I buy (6aR,8S,9S)-9-benzoyl-8-(pyridin-3-yl)-8,9-dihydropyrrolo[1,2-a][1,5]naphthyridine-7,7(6aH)-dicarbonitrile?
You can request a quote for (6aR,8S,9S)-9-benzoyl-8-(pyridin-3-yl)-8,9-dihydropyrrolo[1,2-a][1,5]naphthyridine-7,7(6aH)-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6aR,8S,9S)-9-benzoyl-8-(pyridin-3-yl)-8,9-dihydropyrrolo[1,2-a][1,5]naphthyridine-7,7(6aH)-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (6aR,8S,9S)-9-benzoyl-8-(pyridin-3-yl)-8,9-dihydropyrrolo[1,2-a][1,5]naphthyridine-7,7(6aH)-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.