2,5-双(三氯甲基)苯甲腈
TL;DR: 2,5-双(三氯甲基)苯甲腈 (CAS 50709-36-9) is a chemical compound with molecular formula C9H3Cl6N and molecular weight 334.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-双(三氯甲基)苯甲腈
2,5-bis(trichloromethyl)benzonitrile
Also Known As: 2,5-bis(trichloromethyl)benzonitrile, propane-1,3-diyl dipentanoate, 2,5-bistrichloromethylbenzonitrile, RefChem:247149
| Molecular Formula | C9H3Cl6N |
|---|---|
| Molecular Weight | 334.84 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 334.83966 |
| Heavy Atoms | 16 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 50709-36-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(Cl)(Cl)Cl)C#N)C(Cl)(Cl)Cl |
| InChIKey | IRSLAKBEDALSPF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-双(三氯甲基)苯甲腈 (CAS 50709-36-9), with molecular formula C9H3Cl6N and molecular weight 334.84 g/mol. IUPAC: 2,5-bis(trichloromethyl)benzonitrile.
Chemical Property Profile of 2,5-双(三氯甲基)苯甲腈
Property Insights of 2,5-双(三氯甲基)苯甲腈
The XLogP value of 4.9 indicates that 2,5-双(三氯甲基)苯甲腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 2,5-双(三氯甲基)苯甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-双(三氯甲基)苯甲腈 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 2,5-双(三氯甲基)苯甲腈?
The CAS number of 2,5-双(三氯甲基)苯甲腈 is 50709-36-9.
What is the molecular formula of 2,5-双(三氯甲基)苯甲腈?
The molecular formula of 2,5-双(三氯甲基)苯甲腈 is C9H3Cl6N.
What is the molecular weight of 2,5-双(三氯甲基)苯甲腈?
The molecular weight of 2,5-双(三氯甲基)苯甲腈 is 334.84 g/mol.
Where can I buy 2,5-双(三氯甲基)苯甲腈?
You can request a quote for 2,5-双(三氯甲基)苯甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-双(三氯甲基)苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 2,5-双(三氯甲基)苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.