1,2-Dichlorocyclobutane-1,2-dicarbonitrile
TL;DR: 1,2-Dichlorocyclobutane-1,2-dicarbonitrile (CAS 3496-67-1) is a chemical compound with molecular formula C6H4Cl2N2 and molecular weight 173.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dichlorocyclobutane-1,2-dicarbonitrile
Also Known As: 1,2-dichlorocyclobutane-1,2-dicarbonitrile, Chlorinated-1,2-dicyanocyclobutane, 1,2-Dichloro-1,2-cyclobutanedicarbonitrile, 1,2-Dichlor-cyclobutan-1,2-dicarbonitril, 1,2-CYCLOBUTANEDICARBONITRILE, 1,2-DICHLORO-
| Molecular Formula | C6H4Cl2N2 |
|---|---|
| Molecular Weight | 173.98 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.97516 |
| Heavy Atoms | 10 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 3496-67-1 |
|---|---|
| SMILES | C1CC(C1(C#N)Cl)(C#N)Cl |
| InChIKey | MKEHNGFZTJTLBC-UHFFFAOYSA-N |
Product Overview
1,2-Dichlorocyclobutane-1,2-dicarbonitrile (CAS 3496-67-1), with molecular formula C6H4Cl2N2 and molecular weight 173.98 g/mol. IUPAC: 1,2-dichlorocyclobutane-1,2-dicarbonitrile.
Chemical Property Profile of 1,2-Dichlorocyclobutane-1,2-dicarbonitrile
Property Insights of 1,2-Dichlorocyclobutane-1,2-dicarbonitrile
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Dichlorocyclobutane-1,2-dicarbonitrile. With a topological polar surface area (TPSA) of 47.6 Ų, 1,2-Dichlorocyclobutane-1,2-dicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dichlorocyclobutane-1,2-dicarbonitrile 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 1,2-Dichlorocyclobutane-1,2-dicarbonitrile?
The CAS number of 1,2-Dichlorocyclobutane-1,2-dicarbonitrile is 3496-67-1.
What is the molecular formula of 1,2-Dichlorocyclobutane-1,2-dicarbonitrile?
The molecular formula of 1,2-Dichlorocyclobutane-1,2-dicarbonitrile is C6H4Cl2N2.
What is the molecular weight of 1,2-Dichlorocyclobutane-1,2-dicarbonitrile?
The molecular weight of 1,2-Dichlorocyclobutane-1,2-dicarbonitrile is 173.98 g/mol.
Where can I buy 1,2-Dichlorocyclobutane-1,2-dicarbonitrile?
You can request a quote for 1,2-Dichlorocyclobutane-1,2-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dichlorocyclobutane-1,2-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dichlorocyclobutane-1,2-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.