2-Butenedinitrile, 2-chloro-, (E)-
TL;DR: 2-Butenedinitrile, 2-chloro-, (E)- (CAS 6910-76-5) is a chemical compound with molecular formula C4HClN2 and molecular weight 111.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-chlorobut-2-enedinitrile
Also Known As: Chloromaleonitrile, Chloromaleic dinitrile, Maleonitrile, chloro-, (E)-2-Chloro-2-butenedinitrile, C4HClN2
| Molecular Formula | C4HClN2 |
|---|---|
| Molecular Weight | 111.98 g/mol |
| LogP | 1.15626 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 111.98283 |
| Heavy Atoms | 7 |
| Complexity | 157.50906 |
Chemical Identifiers
| CAS Number | 6910-76-5 |
|---|---|
| SMILES | C(=C(\C#N)/Cl)\C#N |
Product Overview
2-Butenedinitrile, 2-chloro-, (E)- (CAS 6910-76-5), with molecular formula C4HClN2 and molecular weight 111.98 g/mol. IUPAC: (E)-2-chlorobut-2-enedinitrile.
Chemical Property Profile of 2-Butenedinitrile, 2-chloro-, (E)-
Property Insights of 2-Butenedinitrile, 2-chloro-, (E)-
The XLogP value of 1.15626 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenedinitrile, 2-chloro-, (E)-. With a topological polar surface area (TPSA) of 47.58 Ų, 2-Butenedinitrile, 2-chloro-, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenedinitrile, 2-chloro-, (E)- 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-Butenedinitrile, 2-chloro-, (E)-?
The CAS number of 2-Butenedinitrile, 2-chloro-, (E)- is 6910-76-5.
What is the molecular formula of 2-Butenedinitrile, 2-chloro-, (E)-?
The molecular formula of 2-Butenedinitrile, 2-chloro-, (E)- is C4HClN2.
What is the molecular weight of 2-Butenedinitrile, 2-chloro-, (E)-?
The molecular weight of 2-Butenedinitrile, 2-chloro-, (E)- is 111.98 g/mol.
Where can I buy 2-Butenedinitrile, 2-chloro-, (E)-?
You can request a quote for 2-Butenedinitrile, 2-chloro-, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenedinitrile, 2-chloro-, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenedinitrile, 2-chloro-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.