2,3-二氯-2-丁烯二腈
TL;DR: 2,3-二氯-2-丁烯二腈 (CAS 6613-48-5) is a chemical compound with molecular formula C4Cl2N2 and molecular weight 145.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-二氯-2-丁烯二腈
2,3-dichlorobut-2-enedinitrile
Also Known As: Dichlorofumaronitrile, 2,3-dichlorobut-2-enedinitrile
| Molecular Formula | C4Cl2N2 |
|---|---|
| Molecular Weight | 145.94 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 145.94385 |
| Heavy Atoms | 8 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 6613-48-5 |
|---|---|
| SMILES | C(#N)C(=C(C#N)Cl)Cl |
| InChIKey | UAIXJNRQLIOTOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-二氯-2-丁烯二腈 (CAS 6613-48-5), with molecular formula C4Cl2N2 and molecular weight 145.94 g/mol. IUPAC: 2,3-dichlorobut-2-enedinitrile.
Chemical Property Profile of 2,3-二氯-2-丁烯二腈
Property Insights of 2,3-二氯-2-丁烯二腈
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-二氯-2-丁烯二腈. With a topological polar surface area (TPSA) of 47.6 Ų, 2,3-二氯-2-丁烯二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-二氯-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 2,3-二氯-2-丁烯二腈?
The CAS number of 2,3-二氯-2-丁烯二腈 is 6613-48-5.
What is the molecular formula of 2,3-二氯-2-丁烯二腈?
The molecular formula of 2,3-二氯-2-丁烯二腈 is C4Cl2N2.
What is the molecular weight of 2,3-二氯-2-丁烯二腈?
The molecular weight of 2,3-二氯-2-丁烯二腈 is 145.94 g/mol.
Where can I buy 2,3-二氯-2-丁烯二腈?
You can request a quote for 2,3-二氯-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 2,3-二氯-2-丁烯二腈?
Yes, KEHONG BIO provides custom synthesis services for 2,3-二氯-2-丁烯二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.