1-芘亚甲基丙二腈
TL;DR: 1-芘亚甲基丙二腈 (CAS 274-49-7) is a chemical compound with molecular formula C20H10N2 and molecular weight 278.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-芘亚甲基丙二腈
2-(pyren-1-ylmethylidene)propanedinitrile
Also Known As: 1-dicyanovinylpyrene, (pyren-1-ylmethylene)malononitrile, 2-(pyren-1-ylmethylidene)propanedinitrile, starbld0009161, 1-Pyrenylmethylenemalononitrile
| Molecular Formula | C20H10N2 |
|---|---|
| Molecular Weight | 278.08 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 278.0844 |
| Heavy Atoms | 22 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 274-49-7 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C=C(C#N)C#N |
| InChIKey | KQRUQVGUIFJRBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-芘亚甲基丙二腈 (CAS 274-49-7), with molecular formula C20H10N2 and molecular weight 278.08 g/mol. IUPAC: 2-(pyren-1-ylmethylidene)propanedinitrile.
Chemical Property Profile of 1-芘亚甲基丙二腈
Property Insights of 1-芘亚甲基丙二腈
The XLogP value of 5.1 indicates that 1-芘亚甲基丙二腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, 1-芘亚甲基丙二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-芘亚甲基丙二腈 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-芘亚甲基丙二腈?
The CAS number of 1-芘亚甲基丙二腈 is 274-49-7.
What is the molecular formula of 1-芘亚甲基丙二腈?
The molecular formula of 1-芘亚甲基丙二腈 is C20H10N2.
What is the molecular weight of 1-芘亚甲基丙二腈?
The molecular weight of 1-芘亚甲基丙二腈 is 278.08 g/mol.
Where can I buy 1-芘亚甲基丙二腈?
You can request a quote for 1-芘亚甲基丙二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-芘亚甲基丙二腈?
Yes, KEHONG BIO provides custom synthesis services for 1-芘亚甲基丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.