2,3,4,5,5-Pentachloropenta-2,4-dienenitrile
TL;DR: 2,3,4,5,5-Pentachloropenta-2,4-dienenitrile (CAS 6065-96-9) is a chemical compound with molecular formula C5Cl5N and molecular weight 248.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5,5-pentachloropenta-2,4-dienenitrile
Also Known As: 2,3,4,5,5-pentachloropenta-2,4-dienenitrile, 1,2,3,4,4-PENTACHLORO-1,3-BUTADIENE-1-CARBONITRILE
| Molecular Formula | C5Cl5N |
|---|---|
| Molecular Weight | 248.85 g/mol |
| LogP | 4.08468 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.84734 |
| Heavy Atoms | 11 |
| Complexity | 254.53656 |
Chemical Identifiers
| CAS Number | 6065-96-9 |
|---|---|
| SMILES | C(#N)C(=C(C(=C(Cl)Cl)Cl)Cl)Cl |
Product Overview
2,3,4,5,5-Pentachloropenta-2,4-dienenitrile (CAS 6065-96-9), with molecular formula C5Cl5N and molecular weight 248.85 g/mol. IUPAC: 2,3,4,5,5-pentachloropenta-2,4-dienenitrile.
Chemical Property Profile of 2,3,4,5,5-Pentachloropenta-2,4-dienenitrile
Property Insights of 2,3,4,5,5-Pentachloropenta-2,4-dienenitrile
The XLogP value of 4.08468 indicates that 2,3,4,5,5-Pentachloropenta-2,4-dienenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 2,3,4,5,5-Pentachloropenta-2,4-dienenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,5,5-Pentachloropenta-2,4-dienenitrile 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 2,3,4,5,5-Pentachloropenta-2,4-dienenitrile?
The CAS number of 2,3,4,5,5-Pentachloropenta-2,4-dienenitrile is 6065-96-9.
What is the molecular formula of 2,3,4,5,5-Pentachloropenta-2,4-dienenitrile?
The molecular formula of 2,3,4,5,5-Pentachloropenta-2,4-dienenitrile is C5Cl5N.
What is the molecular weight of 2,3,4,5,5-Pentachloropenta-2,4-dienenitrile?
The molecular weight of 2,3,4,5,5-Pentachloropenta-2,4-dienenitrile is 248.85 g/mol.
Where can I buy 2,3,4,5,5-Pentachloropenta-2,4-dienenitrile?
You can request a quote for 2,3,4,5,5-Pentachloropenta-2,4-dienenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,5,5-Pentachloropenta-2,4-dienenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5,5-Pentachloropenta-2,4-dienenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.