Chloromethyl 4-methoxybenzoate
TL;DR: Chloromethyl 4-methoxybenzoate (CAS 75447-66-4) is a chemical compound with molecular formula C9H9ClO3 and molecular weight 200.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chloromethyl 4-methoxybenzoate
Also Known As: chloromethyl 4-methoxybenzoate, chloromethyl p-methoxybenzoate
| Molecular Formula | C9H9ClO3 |
|---|---|
| Molecular Weight | 200.02 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 200.02402 |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 75447-66-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)OCCl |
| InChIKey | QMOBAVCASHSTEK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chloromethyl 4-methoxybenzoate (CAS 75447-66-4), with molecular formula C9H9ClO3 and molecular weight 200.02 g/mol. IUPAC: chloromethyl 4-methoxybenzoate.
Chemical Property Profile of Chloromethyl 4-methoxybenzoate
Property Insights of Chloromethyl 4-methoxybenzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chloromethyl 4-methoxybenzoate. With a topological polar surface area (TPSA) of 35.5 Ų, Chloromethyl 4-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloromethyl 4-methoxybenzoate has 0 hydrogen bond donor(s) and 3 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 Chloromethyl 4-methoxybenzoate?
The CAS number of Chloromethyl 4-methoxybenzoate is 75447-66-4.
What is the molecular formula of Chloromethyl 4-methoxybenzoate?
The molecular formula of Chloromethyl 4-methoxybenzoate is C9H9ClO3.
What is the molecular weight of Chloromethyl 4-methoxybenzoate?
The molecular weight of Chloromethyl 4-methoxybenzoate is 200.02 g/mol.
Where can I buy Chloromethyl 4-methoxybenzoate?
You can request a quote for Chloromethyl 4-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloromethyl 4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Chloromethyl 4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.