2-氯-2-丁烯二腈
TL;DR: 2-氯-2-丁烯二腈 (CAS 26459-70-1) 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.
2-氯-2-丁烯二腈
2-chlorobut-2-enedinitrile
Also Known As: 2-chlorobut-2-enedinitrile, (Z)-2-chlorobut-2-enedinitrile
| Molecular Formula | C4HClN2 |
|---|---|
| Molecular Weight | 111.98 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 111.98283 |
| Heavy Atoms | 7 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 26459-70-1 |
|---|---|
| SMILES | C(=C(C#N)Cl)C#N |
| InChIKey | VXBAYIAWNLPBHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氯-2-丁烯二腈 (CAS 26459-70-1), with molecular formula C4HClN2 and molecular weight 111.98 g/mol. IUPAC: 2-chlorobut-2-enedinitrile.
Chemical Property Profile of 2-氯-2-丁烯二腈
Property Insights of 2-氯-2-丁烯二腈
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氯-2-丁烯二腈. With a topological polar surface area (TPSA) of 47.6 Ų, 2-氯-2-丁烯二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氯-2-丁烯二腈 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 2-氯-2-丁烯二腈?
The CAS number of 2-氯-2-丁烯二腈 is 26459-70-1.
What is the molecular formula of 2-氯-2-丁烯二腈?
The molecular formula of 2-氯-2-丁烯二腈 is C4HClN2.
What is the molecular weight of 2-氯-2-丁烯二腈?
The molecular weight of 2-氯-2-丁烯二腈 is 111.98 g/mol.
Where can I buy 2-氯-2-丁烯二腈?
You can request a quote for 2-氯-2-丁烯二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氯-2-丁烯二腈?
Yes, KEHONG BIO provides custom synthesis services for 2-氯-2-丁烯二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.