(3-苯基-2-丙炔亚基)丙二腈
TL;DR: (3-苯基-2-丙炔亚基)丙二腈 (CAS 13532-14-4) is a chemical compound with molecular formula C12H6N2 and molecular weight 178.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-苯基-2-丙炔亚基)丙二腈
2-(3-phenylprop-2-ynylidene)propanedinitrile
Also Known As: 3-Phenyl-2-propynylidenemalononitrile, MALONONITRILE, (3-PHENYL-2-PROPYNYLIDENE)-, Phenylpropargyliden-malonsaeure-dinitril, (3-Phenyl-2-propyn-1-ylidene)malononitrile, 2-(3-phenylprop-2-ynylidene)propanedinitrile
| Molecular Formula | C12H6N2 |
|---|---|
| Molecular Weight | 178.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.0531 |
| Heavy Atoms | 14 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 13532-14-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CC=C(C#N)C#N |
| InChIKey | XSWQETQYZLSTJB-UHFFFAOYSA-N |
Product Overview
(3-苯基-2-丙炔亚基)丙二腈 (CAS 13532-14-4), with molecular formula C12H6N2 and molecular weight 178.05 g/mol. IUPAC: 2-(3-phenylprop-2-ynylidene)propanedinitrile.
Chemical Property Profile of (3-苯基-2-丙炔亚基)丙二腈
Property Insights of (3-苯基-2-丙炔亚基)丙二腈
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-苯基-2-丙炔亚基)丙二腈. With a topological polar surface area (TPSA) of 47.6 Ų, (3-苯基-2-丙炔亚基)丙二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-苯基-2-丙炔亚基)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 (3-苯基-2-丙炔亚基)丙二腈?
The CAS number of (3-苯基-2-丙炔亚基)丙二腈 is 13532-14-4.
What is the molecular formula of (3-苯基-2-丙炔亚基)丙二腈?
The molecular formula of (3-苯基-2-丙炔亚基)丙二腈 is C12H6N2.
What is the molecular weight of (3-苯基-2-丙炔亚基)丙二腈?
The molecular weight of (3-苯基-2-丙炔亚基)丙二腈 is 178.05 g/mol.
Where can I buy (3-苯基-2-丙炔亚基)丙二腈?
You can request a quote for (3-苯基-2-丙炔亚基)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 (3-苯基-2-丙炔亚基)丙二腈?
Yes, KEHONG BIO provides custom synthesis services for (3-苯基-2-丙炔亚基)丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.