(E)-2-chloro-3-fluorobut-2-enedinitrile
TL;DR: (E)-2-chloro-3-fluorobut-2-enedinitrile (CAS 686-35-1) is a chemical compound with molecular formula C4ClFN2 and molecular weight 129.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-chloro-3-fluorobut-2-enedinitrile
Also Known As: (E)-2-chloro-3-fluorobut-2-enedinitrile, (2E)-2-CHLORO-3-FLUOROBUT-2-ENEDINITRILE
| Molecular Formula | C4ClFN2 |
|---|---|
| Molecular Weight | 129.97 g/mol |
| LogP | 1.45346 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 129.9734 |
| Heavy Atoms | 8 |
| Complexity | 173.0643 |
Chemical Identifiers
| CAS Number | 686-35-1 |
|---|---|
| SMILES | C(#N)/C(=C(/C#N)\Cl)/F |
Product Overview
(E)-2-chloro-3-fluorobut-2-enedinitrile (CAS 686-35-1), with molecular formula C4ClFN2 and molecular weight 129.97 g/mol. IUPAC: (E)-2-chloro-3-fluorobut-2-enedinitrile.
Chemical Property Profile of (E)-2-chloro-3-fluorobut-2-enedinitrile
Property Insights of (E)-2-chloro-3-fluorobut-2-enedinitrile
The XLogP value of 1.45346 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-chloro-3-fluorobut-2-enedinitrile. With a topological polar surface area (TPSA) of 47.58 Ų, (E)-2-chloro-3-fluorobut-2-enedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-chloro-3-fluorobut-2-enedinitrile 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 (E)-2-chloro-3-fluorobut-2-enedinitrile?
The CAS number of (E)-2-chloro-3-fluorobut-2-enedinitrile is 686-35-1.
What is the molecular formula of (E)-2-chloro-3-fluorobut-2-enedinitrile?
The molecular formula of (E)-2-chloro-3-fluorobut-2-enedinitrile is C4ClFN2.
What is the molecular weight of (E)-2-chloro-3-fluorobut-2-enedinitrile?
The molecular weight of (E)-2-chloro-3-fluorobut-2-enedinitrile is 129.97 g/mol.
Where can I buy (E)-2-chloro-3-fluorobut-2-enedinitrile?
You can request a quote for (E)-2-chloro-3-fluorobut-2-enedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-chloro-3-fluorobut-2-enedinitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-chloro-3-fluorobut-2-enedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.