1-(Chloromethyl)pyrene
TL;DR: 1-(Chloromethyl)pyrene (CAS 1086-00-6) is a chemical compound with molecular formula C17H11Cl and molecular weight 250.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(chloromethyl)pyrene
Also Known As: 1-Chloromethylpyrene, 1-(chloromethyl)pyrene, Pyrene, 1-(chloromethyl)-, 1-pyrenemethanchloride, FLUNIXINMEGLUMINE
| Molecular Formula | C17H11Cl |
|---|---|
| Molecular Weight | 250.05 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 250.05493 |
| Heavy Atoms | 18 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 1086-00-6 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCl |
| InChIKey | MVNXSXOJYGSNQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Chloromethyl)pyrene (CAS 1086-00-6), with molecular formula C17H11Cl and molecular weight 250.05 g/mol. IUPAC: 1-(chloromethyl)pyrene.
Chemical Property Profile of 1-(Chloromethyl)pyrene
Property Insights of 1-(Chloromethyl)pyrene
The XLogP value of 5.4 indicates that 1-(Chloromethyl)pyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-(Chloromethyl)pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Chloromethyl)pyrene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(Chloromethyl)pyrene?
The CAS number of 1-(Chloromethyl)pyrene is 1086-00-6.
What is the molecular formula of 1-(Chloromethyl)pyrene?
The molecular formula of 1-(Chloromethyl)pyrene is C17H11Cl.
What is the molecular weight of 1-(Chloromethyl)pyrene?
The molecular weight of 1-(Chloromethyl)pyrene is 250.05 g/mol.
Where can I buy 1-(Chloromethyl)pyrene?
You can request a quote for 1-(Chloromethyl)pyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Chloromethyl)pyrene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Chloromethyl)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.