1,3-Bis(4-chlorophenoxy)propan-2-yl acetate
TL;DR: 1,3-Bis(4-chlorophenoxy)propan-2-yl acetate (CAS 54116-90-4) is a chemical compound with molecular formula C17H16Cl2O4 and molecular weight 354.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(4-chlorophenoxy)propan-2-yl acetate
Also Known As: 1-Methylacridine, Acridine, methyl-, METHYLACRIDINE, 1,3-bis(4-chlorophenoxy)propan-2-yl acetate, 4-chloromethyl-2-m-tolyl-thiazole
| Molecular Formula | C17H16Cl2O4 |
|---|---|
| Molecular Weight | 354.04 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 354.04257 |
| Heavy Atoms | 23 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 54116-90-4 |
|---|---|
| SMILES | CC(=O)OC(COC1=CC=C(C=C1)Cl)COC2=CC=C(C=C2)Cl |
| InChIKey | UFMVOTVTRDHLKX-UHFFFAOYSA-N |
Product Overview
1,3-Bis(4-chlorophenoxy)propan-2-yl acetate (CAS 54116-90-4), with molecular formula C17H16Cl2O4 and molecular weight 354.04 g/mol. IUPAC: 1,3-bis(4-chlorophenoxy)propan-2-yl acetate.
Chemical Property Profile of 1,3-Bis(4-chlorophenoxy)propan-2-yl acetate
Property Insights of 1,3-Bis(4-chlorophenoxy)propan-2-yl acetate
The XLogP value of 4.8 indicates that 1,3-Bis(4-chlorophenoxy)propan-2-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 1,3-Bis(4-chlorophenoxy)propan-2-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Bis(4-chlorophenoxy)propan-2-yl acetate has 0 hydrogen bond donor(s) and 4 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 1,3-Bis(4-chlorophenoxy)propan-2-yl acetate?
The CAS number of 1,3-Bis(4-chlorophenoxy)propan-2-yl acetate is 54116-90-4.
What is the molecular formula of 1,3-Bis(4-chlorophenoxy)propan-2-yl acetate?
The molecular formula of 1,3-Bis(4-chlorophenoxy)propan-2-yl acetate is C17H16Cl2O4.
What is the molecular weight of 1,3-Bis(4-chlorophenoxy)propan-2-yl acetate?
The molecular weight of 1,3-Bis(4-chlorophenoxy)propan-2-yl acetate is 354.04 g/mol.
Where can I buy 1,3-Bis(4-chlorophenoxy)propan-2-yl acetate?
You can request a quote for 1,3-Bis(4-chlorophenoxy)propan-2-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis(4-chlorophenoxy)propan-2-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(4-chlorophenoxy)propan-2-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.