(2-氟亚苄基)丙二腈
TL;DR: (2-氟亚苄基)丙二腈 (CAS 2698-43-3) is a chemical compound with molecular formula C10H5FN2 and molecular weight 172.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-氟亚苄基)丙二腈
2-[(2-fluorophenyl)methylidene]propanedinitrile
Also Known As: 2-[(2-fluorophenyl)methylidene]propanedinitrile, 2-Fluorobenzylidenemalononitrile, MALONONITRILE, (o-FLUOROBENZYLIDENE)-, 2-(2-Fluorobenzylidene)malononitrile, o-fluorobenzylidenemalononitrile
| Molecular Formula | C10H5FN2 |
|---|---|
| Molecular Weight | 172.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.04367 |
| Heavy Atoms | 13 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 2698-43-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=C(C#N)C#N)F |
| InChIKey | XLEWRBXVBOUONK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-氟亚苄基)丙二腈 (CAS 2698-43-3), with molecular formula C10H5FN2 and molecular weight 172.04 g/mol. IUPAC: 2-[(2-fluorophenyl)methylidene]propanedinitrile.
Chemical Property Profile of (2-氟亚苄基)丙二腈
Property Insights of (2-氟亚苄基)丙二腈
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-氟亚苄基)丙二腈. With a topological polar surface area (TPSA) of 47.6 Ų, (2-氟亚苄基)丙二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-氟亚苄基)丙二腈 has 0 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-氟亚苄基)丙二腈?
The CAS number of (2-氟亚苄基)丙二腈 is 2698-43-3.
What is the molecular formula of (2-氟亚苄基)丙二腈?
The molecular formula of (2-氟亚苄基)丙二腈 is C10H5FN2.
What is the molecular weight of (2-氟亚苄基)丙二腈?
The molecular weight of (2-氟亚苄基)丙二腈 is 172.04 g/mol.
Where can I buy (2-氟亚苄基)丙二腈?
You can request a quote for (2-氟亚苄基)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-氟亚苄基)丙二腈?
Yes, KEHONG BIO provides custom synthesis services for (2-氟亚苄基)丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.