![(10aS,8R,9R)-8-[(4-methoxyphenyl)carbonyl]-9-(3-pyridyl)-7,10a-dihydropyrrolid ino[2,1-a]isoquinoline-10,10-dicarbonitrile structure](/static/products/294/294635-02-2.png)
(10aS,8R,9R)-8-[(4-methoxyphenyl)carbonyl]-9-(3-pyridyl)-7,10a-dihydropyrrolid ino[2,1-a]isoquinoline-10,10-dicarbonitrile
TL;DR: (10aS,8R,9R)-8-[(4-methoxyphenyl)carbonyl]-9-(3-pyridyl)-7,10a-dihydropyrrolid ino[2,1-a]isoquinoline-10,10-dicarbonitrile (CAS 294635-02-2) is a chemical compound with molecular formula C27H20N4O2 and molecular weight 432.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,10bS)-3-(4-methoxybenzoyl)-2-pyridin-3-yl-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile
Also Known As: (10aS,8R,9R)-8-[(4-methoxyphenyl)carbonyl]-9-(3-pyridyl)-7,10a-dihydropyrrolid ino[2,1-a]isoquinoline-10,10-dicarbonitrile, (2R,3R,10bS)-3-(4-methoxybenzoyl)-2-(pyridin-3-yl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile, (2R,3R,10bS)-3-(4-methoxybenzoyl)-2-pyridin-3-yl-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile, (2R,3R,10bS)-3-[(4-methoxyphenyl)carbonyl]-2-(pyridin-3-yl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
| Molecular Formula | C27H20N4O2 |
|---|---|
| Molecular Weight | 432.16 g/mol |
| LogP | 4.50006 |
| Topological Polar Surface Area | 90.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.15863 |
| Heavy Atoms | 33 |
| Complexity | 1304.7225 |
Chemical Identifiers
| CAS Number | 294635-02-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)[C@H]2[C@@H](C([C@H]3N2C=CC4=CC=CC=C34)(C#N)C#N)C5=CN=CC=C5 |
Product Overview
(10aS,8R,9R)-8-[(4-methoxyphenyl)carbonyl]-9-(3-pyridyl)-7,10a-dihydropyrrolid ino[2,1-a]isoquinoline-10,10-dicarbonitrile (CAS 294635-02-2), with molecular formula C27H20N4O2 and molecular weight 432.16 g/mol. IUPAC: (2R,3R,10bS)-3-(4-methoxybenzoyl)-2-pyridin-3-yl-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile.
Chemical Property Profile of (10aS,8R,9R)-8-[(4-methoxyphenyl)carbonyl]-9-(3-pyridyl)-7,10a-dihydropyrrolid ino[2,1-a]isoquinoline-10,10-dicarbonitrile
Property Insights of (10aS,8R,9R)-8-[(4-methoxyphenyl)carbonyl]-9-(3-pyridyl)-7,10a-dihydropyrrolid ino[2,1-a]isoquinoline-10,10-dicarbonitrile
The XLogP value of 4.50006 indicates that (10aS,8R,9R)-8-[(4-methoxyphenyl)carbonyl]-9-(3-pyridyl)-7,10a-dihydropyrrolid ino[2,1-a]isoquinoline-10,10-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.01 Ų falls within the moderate polarity range, balancing permeability and solubility for (10aS,8R,9R)-8-[(4-methoxyphenyl)carbonyl]-9-(3-pyridyl)-7,10a-dihydropyrrolid ino[2,1-a]isoquinoline-10,10-dicarbonitrile. Following Lipinski's Rule of Five, (10aS,8R,9R)-8-[(4-methoxyphenyl)carbonyl]-9-(3-pyridyl)-7,10a-dihydropyrrolid ino[2,1-a]isoquinoline-10,10-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 (10aS,8R,9R)-8-[(4-methoxyphenyl)carbonyl]-9-(3-pyridyl)-7,10a-dihydropyrrolid ino[2,1-a]isoquinoline-10,10-dicarbonitrile?
The CAS number of (10aS,8R,9R)-8-[(4-methoxyphenyl)carbonyl]-9-(3-pyridyl)-7,10a-dihydropyrrolid ino[2,1-a]isoquinoline-10,10-dicarbonitrile is 294635-02-2.
What is the molecular formula of (10aS,8R,9R)-8-[(4-methoxyphenyl)carbonyl]-9-(3-pyridyl)-7,10a-dihydropyrrolid ino[2,1-a]isoquinoline-10,10-dicarbonitrile?
The molecular formula of (10aS,8R,9R)-8-[(4-methoxyphenyl)carbonyl]-9-(3-pyridyl)-7,10a-dihydropyrrolid ino[2,1-a]isoquinoline-10,10-dicarbonitrile is C27H20N4O2.
What is the molecular weight of (10aS,8R,9R)-8-[(4-methoxyphenyl)carbonyl]-9-(3-pyridyl)-7,10a-dihydropyrrolid ino[2,1-a]isoquinoline-10,10-dicarbonitrile?
The molecular weight of (10aS,8R,9R)-8-[(4-methoxyphenyl)carbonyl]-9-(3-pyridyl)-7,10a-dihydropyrrolid ino[2,1-a]isoquinoline-10,10-dicarbonitrile is 432.16 g/mol.
Where can I buy (10aS,8R,9R)-8-[(4-methoxyphenyl)carbonyl]-9-(3-pyridyl)-7,10a-dihydropyrrolid ino[2,1-a]isoquinoline-10,10-dicarbonitrile?
You can request a quote for (10aS,8R,9R)-8-[(4-methoxyphenyl)carbonyl]-9-(3-pyridyl)-7,10a-dihydropyrrolid ino[2,1-a]isoquinoline-10,10-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (10aS,8R,9R)-8-[(4-methoxyphenyl)carbonyl]-9-(3-pyridyl)-7,10a-dihydropyrrolid ino[2,1-a]isoquinoline-10,10-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (10aS,8R,9R)-8-[(4-methoxyphenyl)carbonyl]-9-(3-pyridyl)-7,10a-dihydropyrrolid ino[2,1-a]isoquinoline-10,10-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.