![(6aR,8S,9S)-9-(2,4-dimethylbenzoyl)-8-(3-nitrophenyl)-8,9-dihydro-6aH-pyrrolo[1,2-a][1,5]naphthyridine-7,7-dicarbonitrile structure](/static/products/302/302323-35-9.png)
(6aR,8S,9S)-9-(2,4-dimethylbenzoyl)-8-(3-nitrophenyl)-8,9-dihydro-6aH-pyrrolo[1,2-a][1,5]naphthyridine-7,7-dicarbonitrile
TL;DR: (6aR,8S,9S)-9-(2,4-dimethylbenzoyl)-8-(3-nitrophenyl)-8,9-dihydro-6aH-pyrrolo[1,2-a][1,5]naphthyridine-7,7-dicarbonitrile (CAS 302323-35-9) is a chemical compound with molecular formula C28H21N5O3 and molecular weight 475.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,8S,9S)-9-(2,4-dimethylbenzoyl)-8-(3-nitrophenyl)-8,9-dihydro-6aH-pyrrolo[1,2-a][1,5]naphthyridine-7,7-dicarbonitrile
Also Known As: (6aR,8S,9S)-9-(2,4-dimethylbenzoyl)-8-(3-nitrophenyl)-8,9-dihydro-6aH-pyrrolo[1,2-a][1,5]naphthyridine-7,7-dicarbonitrile, (6aR,8S,9S)-9-(2,4-dimethylbenzoyl)-8-(3-nitrophenyl)-8,9-dihydropyrrolo[1,2-a][1,5]naphthyridine-7,7(6aH)-dicarbonitrile
| Molecular Formula | C28H21N5O3 |
|---|---|
| Molecular Weight | 475.16 g/mol |
| LogP | 4.8909 |
| Topological Polar Surface Area | 123.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 475.16443 |
| Heavy Atoms | 36 |
| Complexity | 1516.6202 |
Chemical Identifiers
| CAS Number | 302323-35-9 |
|---|---|
| SMILES | CC1=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=CC(=CC=C5)[N+](=O)[O-])C |
Product Overview
(6aR,8S,9S)-9-(2,4-dimethylbenzoyl)-8-(3-nitrophenyl)-8,9-dihydro-6aH-pyrrolo[1,2-a][1,5]naphthyridine-7,7-dicarbonitrile (CAS 302323-35-9), with molecular formula C28H21N5O3 and molecular weight 475.16 g/mol. IUPAC: (6aR,8S,9S)-9-(2,4-dimethylbenzoyl)-8-(3-nitrophenyl)-8,9-dihydro-6aH-pyrrolo[1,2-a][1,5]naphthyridine-7,7-dicarbonitrile.
Chemical Property Profile of (6aR,8S,9S)-9-(2,4-dimethylbenzoyl)-8-(3-nitrophenyl)-8,9-dihydro-6aH-pyrrolo[1,2-a][1,5]naphthyridine-7,7-dicarbonitrile
Property Insights of (6aR,8S,9S)-9-(2,4-dimethylbenzoyl)-8-(3-nitrophenyl)-8,9-dihydro-6aH-pyrrolo[1,2-a][1,5]naphthyridine-7,7-dicarbonitrile
The XLogP value of 4.8909 indicates that (6aR,8S,9S)-9-(2,4-dimethylbenzoyl)-8-(3-nitrophenyl)-8,9-dihydro-6aH-pyrrolo[1,2-a][1,5]naphthyridine-7,7-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.92 Ų falls within the moderate polarity range, balancing permeability and solubility for (6aR,8S,9S)-9-(2,4-dimethylbenzoyl)-8-(3-nitrophenyl)-8,9-dihydro-6aH-pyrrolo[1,2-a][1,5]naphthyridine-7,7-dicarbonitrile. Following Lipinski's Rule of Five, (6aR,8S,9S)-9-(2,4-dimethylbenzoyl)-8-(3-nitrophenyl)-8,9-dihydro-6aH-pyrrolo[1,2-a][1,5]naphthyridine-7,7-dicarbonitrile 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 (6aR,8S,9S)-9-(2,4-dimethylbenzoyl)-8-(3-nitrophenyl)-8,9-dihydro-6aH-pyrrolo[1,2-a][1,5]naphthyridine-7,7-dicarbonitrile?
The CAS number of (6aR,8S,9S)-9-(2,4-dimethylbenzoyl)-8-(3-nitrophenyl)-8,9-dihydro-6aH-pyrrolo[1,2-a][1,5]naphthyridine-7,7-dicarbonitrile is 302323-35-9.
What is the molecular formula of (6aR,8S,9S)-9-(2,4-dimethylbenzoyl)-8-(3-nitrophenyl)-8,9-dihydro-6aH-pyrrolo[1,2-a][1,5]naphthyridine-7,7-dicarbonitrile?
The molecular formula of (6aR,8S,9S)-9-(2,4-dimethylbenzoyl)-8-(3-nitrophenyl)-8,9-dihydro-6aH-pyrrolo[1,2-a][1,5]naphthyridine-7,7-dicarbonitrile is C28H21N5O3.
What is the molecular weight of (6aR,8S,9S)-9-(2,4-dimethylbenzoyl)-8-(3-nitrophenyl)-8,9-dihydro-6aH-pyrrolo[1,2-a][1,5]naphthyridine-7,7-dicarbonitrile?
The molecular weight of (6aR,8S,9S)-9-(2,4-dimethylbenzoyl)-8-(3-nitrophenyl)-8,9-dihydro-6aH-pyrrolo[1,2-a][1,5]naphthyridine-7,7-dicarbonitrile is 475.16 g/mol.
Where can I buy (6aR,8S,9S)-9-(2,4-dimethylbenzoyl)-8-(3-nitrophenyl)-8,9-dihydro-6aH-pyrrolo[1,2-a][1,5]naphthyridine-7,7-dicarbonitrile?
You can request a quote for (6aR,8S,9S)-9-(2,4-dimethylbenzoyl)-8-(3-nitrophenyl)-8,9-dihydro-6aH-pyrrolo[1,2-a][1,5]naphthyridine-7,7-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-(2,4-dimethylbenzoyl)-8-(3-nitrophenyl)-8,9-dihydro-6aH-pyrrolo[1,2-a][1,5]naphthyridine-7,7-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (6aR,8S,9S)-9-(2,4-dimethylbenzoyl)-8-(3-nitrophenyl)-8,9-dihydro-6aH-pyrrolo[1,2-a][1,5]naphthyridine-7,7-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.