五氯苯甲腈
TL;DR: 五氯苯甲腈 (CAS 20925-85-3) is a chemical compound with molecular formula C7Cl5N and molecular weight 272.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
五氯苯甲腈
2,3,4,5,6-pentachlorobenzonitrile
Also Known As: PENTACHLOROBENZONITRILE, 2,3,4,5,6-Pentachlorobenzonitrile, Pentachlorocyanobenzene, Benzonitrile, pentachloro-, C7Cl5N
| Molecular Formula | C7Cl5N |
|---|---|
| Molecular Weight | 272.85 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 274.8444 |
| Heavy Atoms | 13 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 20925-85-3 |
|---|---|
| SMILES | C(#N)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl |
| InChIKey | INICGXSKJYKEIV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
五氯苯甲腈 (CAS 20925-85-3), with molecular formula C7Cl5N and molecular weight 272.85 g/mol. IUPAC: 2,3,4,5,6-pentachlorobenzonitrile.
Chemical Property Profile of 五氯苯甲腈
Property Insights of 五氯苯甲腈
The XLogP value of 3.8 indicates that 五氯苯甲腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 五氯苯甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 五氯苯甲腈 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 五氯苯甲腈?
The CAS number of 五氯苯甲腈 is 20925-85-3.
What is the molecular formula of 五氯苯甲腈?
The molecular formula of 五氯苯甲腈 is C7Cl5N.
What is the molecular weight of 五氯苯甲腈?
The molecular weight of 五氯苯甲腈 is 272.85 g/mol.
Where can I buy 五氯苯甲腈?
You can request a quote for 五氯苯甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 五氯苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 五氯苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.