(4-Butoxyphenoxy)acetyl chloride
TL;DR: (4-Butoxyphenoxy)acetyl chloride (CAS 54022-77-4) is a chemical compound with molecular formula C12H15ClO3 and molecular weight 242.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-butoxyphenoxy)acetyl chloride
Also Known As: (4-Butoxyphenoxy)acetyl chloride, 2-(4-butoxyphenoxy)acetyl chloride, Acetyl chloride,2-(4-butoxyphenoxy)-, EINECS 258-926-8
| Molecular Formula | C12H15ClO3 |
|---|---|
| Molecular Weight | 242.07 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 242.07097 |
| Heavy Atoms | 16 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 54022-77-4 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)OCC(=O)Cl |
| InChIKey | VUHUVRUYCQVHDT-UHFFFAOYSA-N |
Product Overview
(4-Butoxyphenoxy)acetyl chloride (CAS 54022-77-4), with molecular formula C12H15ClO3 and molecular weight 242.07 g/mol. IUPAC: 2-(4-butoxyphenoxy)acetyl chloride.
Chemical Property Profile of (4-Butoxyphenoxy)acetyl chloride
Property Insights of (4-Butoxyphenoxy)acetyl chloride
The XLogP value of 3.8 indicates that (4-Butoxyphenoxy)acetyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, (4-Butoxyphenoxy)acetyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Butoxyphenoxy)acetyl chloride 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 (4-Butoxyphenoxy)acetyl chloride?
The CAS number of (4-Butoxyphenoxy)acetyl chloride is 54022-77-4.
What is the molecular formula of (4-Butoxyphenoxy)acetyl chloride?
The molecular formula of (4-Butoxyphenoxy)acetyl chloride is C12H15ClO3.
What is the molecular weight of (4-Butoxyphenoxy)acetyl chloride?
The molecular weight of (4-Butoxyphenoxy)acetyl chloride is 242.07 g/mol.
Where can I buy (4-Butoxyphenoxy)acetyl chloride?
You can request a quote for (4-Butoxyphenoxy)acetyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Butoxyphenoxy)acetyl chloride?
Yes, KEHONG BIO provides custom synthesis services for (4-Butoxyphenoxy)acetyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.