二氯丙二腈
TL;DR: 二氯丙二腈 (CAS 13063-43-9) is a chemical compound with molecular formula C3Cl2N2 and molecular weight 133.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二氯丙二腈
2,2-dichloropropanedinitrile
Also Known As: Dichloromalononitrile, Dichlorodicyanomethane, Propanedinitrile, dichloro-, dichloropropanedinitrile, 2,2-dichloropropanedinitrile
| Molecular Formula | C3Cl2N2 |
|---|---|
| Molecular Weight | 133.94 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 133.94385 |
| Heavy Atoms | 7 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 13063-43-9 |
|---|---|
| SMILES | C(#N)C(C#N)(Cl)Cl |
| InChIKey | NCWGPYPDPWOJKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二氯丙二腈 (CAS 13063-43-9), with molecular formula C3Cl2N2 and molecular weight 133.94 g/mol. IUPAC: 2,2-dichloropropanedinitrile.
Chemical Property Profile of 二氯丙二腈
Property Insights of 二氯丙二腈
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二氯丙二腈. With a topological polar surface area (TPSA) of 47.6 Ų, 二氯丙二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二氯丙二腈 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 二氯丙二腈?
The CAS number of 二氯丙二腈 is 13063-43-9.
What is the molecular formula of 二氯丙二腈?
The molecular formula of 二氯丙二腈 is C3Cl2N2.
What is the molecular weight of 二氯丙二腈?
The molecular weight of 二氯丙二腈 is 133.94 g/mol.
Where can I buy 二氯丙二腈?
You can request a quote for 二氯丙二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二氯丙二腈?
Yes, KEHONG BIO provides custom synthesis services for 二氯丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.