2-(1,3-二氢-2H-茚-2-亚基)丙二腈
TL;DR: 2-(1,3-二氢-2H-茚-2-亚基)丙二腈 (CAS 2510-00-1) is a chemical compound with molecular formula C12H8N2 and molecular weight 180.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-二氢-2H-茚-2-亚基)丙二腈
2-(1,3-dihydroinden-2-ylidene)propanedinitrile
Also Known As: (2-Indanylidene)malononitrile, delta2,alpha-Indanmalononitrile, MALONONITRILE, (2-INDANYLIDENE)-, (Indan-2-ylidene)malononitrile, 2-(Indan-2-ylidene)malononitrile
| Molecular Formula | C12H8N2 |
|---|---|
| Molecular Weight | 180.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.06874 |
| Heavy Atoms | 14 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 2510-00-1 |
|---|---|
| SMILES | C1C(=C(C#N)C#N)CC2=CC=CC=C21 |
| InChIKey | DNONJLXXOZWTCK-UHFFFAOYSA-N |
Product Overview
2-(1,3-二氢-2H-茚-2-亚基)丙二腈 (CAS 2510-00-1), with molecular formula C12H8N2 and molecular weight 180.07 g/mol. IUPAC: 2-(1,3-dihydroinden-2-ylidene)propanedinitrile.
Chemical Property Profile of 2-(1,3-二氢-2H-茚-2-亚基)丙二腈
Property Insights of 2-(1,3-二氢-2H-茚-2-亚基)丙二腈
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-二氢-2H-茚-2-亚基)丙二腈. With a topological polar surface area (TPSA) of 47.6 Ų, 2-(1,3-二氢-2H-茚-2-亚基)丙二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-二氢-2H-茚-2-亚基)丙二腈 has 0 hydrogen bond donor(s) and 2 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-(1,3-二氢-2H-茚-2-亚基)丙二腈?
The CAS number of 2-(1,3-二氢-2H-茚-2-亚基)丙二腈 is 2510-00-1.
What is the molecular formula of 2-(1,3-二氢-2H-茚-2-亚基)丙二腈?
The molecular formula of 2-(1,3-二氢-2H-茚-2-亚基)丙二腈 is C12H8N2.
What is the molecular weight of 2-(1,3-二氢-2H-茚-2-亚基)丙二腈?
The molecular weight of 2-(1,3-二氢-2H-茚-2-亚基)丙二腈 is 180.07 g/mol.
Where can I buy 2-(1,3-二氢-2H-茚-2-亚基)丙二腈?
You can request a quote for 2-(1,3-二氢-2H-茚-2-亚基)丙二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-二氢-2H-茚-2-亚基)丙二腈?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-二氢-2H-茚-2-亚基)丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.