3,4-Dichlorobutanenitrile
TL;DR: 3,4-Dichlorobutanenitrile (CAS 34362-21-5) is a chemical compound with molecular formula C4H5Cl2N and molecular weight 136.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dichlorobutanenitrile
Also Known As: 3,4-dichlorobutanenitrile, 3,4-Dichlorobutyronitrile, 3,4-dichloro-butyronitrile, 3,4-Dichlorobutane nitrile, 3,4-Dichlorobutanenitrile 3,4-Dichlorobutyronitrile
| Molecular Formula | C4H5Cl2N |
|---|---|
| Molecular Weight | 136.98 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 136.9799 |
| Heavy Atoms | 7 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 34362-21-5 |
|---|---|
| SMILES | C(C#N)C(CCl)Cl |
| InChIKey | PUFZOQWAWMKJAQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dichlorobutanenitrile (CAS 34362-21-5), with molecular formula C4H5Cl2N and molecular weight 136.98 g/mol. IUPAC: 3,4-dichlorobutanenitrile.
Chemical Property Profile of 3,4-Dichlorobutanenitrile
Property Insights of 3,4-Dichlorobutanenitrile
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dichlorobutanenitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 3,4-Dichlorobutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dichlorobutanenitrile has 0 hydrogen bond donor(s) and 1 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 3,4-Dichlorobutanenitrile?
The CAS number of 3,4-Dichlorobutanenitrile is 34362-21-5.
What is the molecular formula of 3,4-Dichlorobutanenitrile?
The molecular formula of 3,4-Dichlorobutanenitrile is C4H5Cl2N.
What is the molecular weight of 3,4-Dichlorobutanenitrile?
The molecular weight of 3,4-Dichlorobutanenitrile is 136.98 g/mol.
Where can I buy 3,4-Dichlorobutanenitrile?
You can request a quote for 3,4-Dichlorobutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dichlorobutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dichlorobutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.