2,6-双(4-氯亚苄基)环己酮
TL;DR: 2,6-双(4-氯亚苄基)环己酮 (CAS 18989-82-7) is a chemical compound with molecular formula C20H16Cl2O and molecular weight 342.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-双(4-氯亚苄基)环己酮
2,6-bis[(4-chlorophenyl)methylidene]cyclohexan-1-one
Also Known As: Maybridge1_003256, NCIOpen2_007365, 2,6-Bis(4-chlorobenzylidene)cyclohexanone, 2,6-Bis(4-chlorobenzylidene)cyclohexan-1-one, 2,6-Bis(p-chlorobenzylidene)cyclohexanone
| Molecular Formula | C20H16Cl2O |
|---|---|
| Molecular Weight | 342.06 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.05783 |
| Heavy Atoms | 23 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 18989-82-7 |
|---|---|
| SMILES | C1CC(=CC2=CC=C(C=C2)Cl)C(=O)C(=CC3=CC=C(C=C3)Cl)C1 |
| InChIKey | MNFGLQYSNLSOHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-双(4-氯亚苄基)环己酮 (CAS 18989-82-7), with molecular formula C20H16Cl2O and molecular weight 342.06 g/mol. IUPAC: 2,6-bis[(4-chlorophenyl)methylidene]cyclohexan-1-one.
Chemical Property Profile of 2,6-双(4-氯亚苄基)环己酮
Property Insights of 2,6-双(4-氯亚苄基)环己酮
The XLogP value of 6.3 indicates that 2,6-双(4-氯亚苄基)环己酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2,6-双(4-氯亚苄基)环己酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-双(4-氯亚苄基)环己酮 has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,6-双(4-氯亚苄基)环己酮?
The CAS number of 2,6-双(4-氯亚苄基)环己酮 is 18989-82-7.
What is the molecular formula of 2,6-双(4-氯亚苄基)环己酮?
The molecular formula of 2,6-双(4-氯亚苄基)环己酮 is C20H16Cl2O.
What is the molecular weight of 2,6-双(4-氯亚苄基)环己酮?
The molecular weight of 2,6-双(4-氯亚苄基)环己酮 is 342.06 g/mol.
Where can I buy 2,6-双(4-氯亚苄基)环己酮?
You can request a quote for 2,6-双(4-氯亚苄基)环己酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-双(4-氯亚苄基)环己酮?
Yes, KEHONG BIO provides custom synthesis services for 2,6-双(4-氯亚苄基)环己酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.