4-Ethylbenzoyl chloride
TL;DR: 4-Ethylbenzoyl chloride (CAS 16331-45-6) is a chemical compound with molecular formula C9H9ClO and molecular weight 168.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethylbenzoyl chloride
Also Known As: 4-Ethylbenzoyl chloride, 4-ethylbenzoylchloride, Benzoyl chloride, 4-ethyl-, p-ethylbenzoyl chloride, p-ethylbenzoylchlorid
| Molecular Formula | C9H9ClO |
|---|---|
| Molecular Weight | 168.03 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.0342 |
| Heavy Atoms | 11 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 16331-45-6 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C(=O)Cl |
| InChIKey | AVTLLLZVYYPGFX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Ethylbenzoyl chloride (CAS 16331-45-6), with molecular formula C9H9ClO and molecular weight 168.03 g/mol. IUPAC: 4-ethylbenzoyl chloride.
Chemical Property Profile of 4-Ethylbenzoyl chloride
Property Insights of 4-Ethylbenzoyl chloride
The XLogP value of 3.9 indicates that 4-Ethylbenzoyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Ethylbenzoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethylbenzoyl chloride 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 4-Ethylbenzoyl chloride?
The CAS number of 4-Ethylbenzoyl chloride is 16331-45-6.
What is the molecular formula of 4-Ethylbenzoyl chloride?
The molecular formula of 4-Ethylbenzoyl chloride is C9H9ClO.
What is the molecular weight of 4-Ethylbenzoyl chloride?
The molecular weight of 4-Ethylbenzoyl chloride is 168.03 g/mol.
Where can I buy 4-Ethylbenzoyl chloride?
You can request a quote for 4-Ethylbenzoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethylbenzoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethylbenzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.