1, 2-Chloromethyl-9-methyl-
TL;DR: 1, 2-Chloromethyl-9-methyl- (CAS 118896-80-3) is a chemical compound with molecular formula C14H11ClN2 and molecular weight 242.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)-9-methyl-1,10-phenanthroline
Also Known As: 1, 2-chloromethyl-9-methyl-, 2-(chloromethyl)-9-methyl-1,10-phenanthroline, 1,10-Phenanthroline, 2-chloromethyl-9-methyl-
| Molecular Formula | C14H11ClN2 |
|---|---|
| Molecular Weight | 242.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 25.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.06108 |
| Heavy Atoms | 17 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 118896-80-3 |
|---|---|
| SMILES | CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)CCl |
| InChIKey | MAOXTEQFAUOMGV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1, 2-Chloromethyl-9-methyl- (CAS 118896-80-3), with molecular formula C14H11ClN2 and molecular weight 242.06 g/mol. IUPAC: 2-(chloromethyl)-9-methyl-1,10-phenanthroline.
Chemical Property Profile of 1, 2-Chloromethyl-9-methyl-
Property Insights of 1, 2-Chloromethyl-9-methyl-
The XLogP value of 3.3 indicates that 1, 2-Chloromethyl-9-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.8 Ų, 1, 2-Chloromethyl-9-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1, 2-Chloromethyl-9-methyl- has 0 hydrogen bond donor(s) and 2 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 1, 2-Chloromethyl-9-methyl-?
The CAS number of 1, 2-Chloromethyl-9-methyl- is 118896-80-3.
What is the molecular formula of 1, 2-Chloromethyl-9-methyl-?
The molecular formula of 1, 2-Chloromethyl-9-methyl- is C14H11ClN2.
What is the molecular weight of 1, 2-Chloromethyl-9-methyl-?
The molecular weight of 1, 2-Chloromethyl-9-methyl- is 242.06 g/mol.
Where can I buy 1, 2-Chloromethyl-9-methyl-?
You can request a quote for 1, 2-Chloromethyl-9-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1, 2-Chloromethyl-9-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1, 2-Chloromethyl-9-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.