![2'H-spiro[cyclopentane-1,3'-isoquinolin]-1'(4'H)-ylidenemalononitrile structure](/static/products/351/351166-63-7.png)
2'H-spiro[cyclopentane-1,3'-isoquinolin]-1'(4'H)-ylidenemalononitrile
TL;DR: 2'H-spiro[cyclopentane-1,3'-isoquinolin]-1'(4'H)-ylidenemalononitrile (CAS 351166-63-7) is a chemical compound with molecular formula C16H15N3 and molecular weight 249.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanedinitrile
Also Known As: ChemDiv1_025708, BAS 00899439, A1950/0081955, 2'H-spiro[cyclopentane-1,3'-isoquinolin]-1'(4'H)-ylidenemalononitrile, 2'H-spiro[cyclopentane-1,3'-isoquinolin]-1'(4'H)-ylidenepropanedinitrile
| Molecular Formula | C16H15N3 |
|---|---|
| Molecular Weight | 249.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 249.1266 |
| Heavy Atoms | 19 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 351166-63-7 |
|---|---|
| SMILES | C1CCC2(C1)CC3=CC=CC=C3C(=C(C#N)C#N)N2 |
| InChIKey | LNXBOPLUVQMAIN-UHFFFAOYSA-N |
Product Overview
2'H-spiro[cyclopentane-1,3'-isoquinolin]-1'(4'H)-ylidenemalononitrile (CAS 351166-63-7), with molecular formula C16H15N3 and molecular weight 249.13 g/mol. IUPAC: 2-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanedinitrile.
Chemical Property Profile of 2'H-spiro[cyclopentane-1,3'-isoquinolin]-1'(4'H)-ylidenemalononitrile
Property Insights of 2'H-spiro[cyclopentane-1,3'-isoquinolin]-1'(4'H)-ylidenemalononitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'H-spiro[cyclopentane-1,3'-isoquinolin]-1'(4'H)-ylidenemalononitrile. With a topological polar surface area (TPSA) of 59.6 Ų, 2'H-spiro[cyclopentane-1,3'-isoquinolin]-1'(4'H)-ylidenemalononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2'H-spiro[cyclopentane-1,3'-isoquinolin]-1'(4'H)-ylidenemalononitrile has 1 hydrogen bond donor(s) and 3 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 2'H-spiro[cyclopentane-1,3'-isoquinolin]-1'(4'H)-ylidenemalononitrile?
The CAS number of 2'H-spiro[cyclopentane-1,3'-isoquinolin]-1'(4'H)-ylidenemalononitrile is 351166-63-7.
What is the molecular formula of 2'H-spiro[cyclopentane-1,3'-isoquinolin]-1'(4'H)-ylidenemalononitrile?
The molecular formula of 2'H-spiro[cyclopentane-1,3'-isoquinolin]-1'(4'H)-ylidenemalononitrile is C16H15N3.
What is the molecular weight of 2'H-spiro[cyclopentane-1,3'-isoquinolin]-1'(4'H)-ylidenemalononitrile?
The molecular weight of 2'H-spiro[cyclopentane-1,3'-isoquinolin]-1'(4'H)-ylidenemalononitrile is 249.13 g/mol.
Where can I buy 2'H-spiro[cyclopentane-1,3'-isoquinolin]-1'(4'H)-ylidenemalononitrile?
You can request a quote for 2'H-spiro[cyclopentane-1,3'-isoquinolin]-1'(4'H)-ylidenemalononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'H-spiro[cyclopentane-1,3'-isoquinolin]-1'(4'H)-ylidenemalononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2'H-spiro[cyclopentane-1,3'-isoquinolin]-1'(4'H)-ylidenemalononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.