![[2-(4-Chlorophenyl)-1,3-dioxolan-4-yl]methyl acetate structure](/static/products/6278/6278-86-0.webp)
[2-(4-Chlorophenyl)-1,3-dioxolan-4-yl]methyl acetate
TL;DR: [2-(4-Chlorophenyl)-1,3-dioxolan-4-yl]methyl acetate (CAS 6278-86-0) is a chemical compound with molecular formula C12H13ClO4 and molecular weight 256.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-chlorophenyl)-1,3-dioxolan-4-yl]methyl acetate
Also Known As: KST-1A6696, [2-(4-chlorophenyl)-1,3-dioxolan-4-yl]methyl acetate, 10-Undecenoicacid,cyclopentyl ester, 1,3-Dioxolane-4-methanol,2-(4-chlorophenyl)-, 4-acetate
| Molecular Formula | C12H13ClO4 |
|---|---|
| Molecular Weight | 256.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.05023 |
| Heavy Atoms | 17 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 6278-86-0 |
|---|---|
| SMILES | CC(=O)OCC1COC(O1)C2=CC=C(C=C2)Cl |
| InChIKey | XBHHZSYFMFXZAZ-UHFFFAOYSA-N |
Product Overview
[2-(4-Chlorophenyl)-1,3-dioxolan-4-yl]methyl acetate (CAS 6278-86-0), with molecular formula C12H13ClO4 and molecular weight 256.05 g/mol. IUPAC: [2-(4-chlorophenyl)-1,3-dioxolan-4-yl]methyl acetate.
Chemical Property Profile of [2-(4-Chlorophenyl)-1,3-dioxolan-4-yl]methyl acetate
Property Insights of [2-(4-Chlorophenyl)-1,3-dioxolan-4-yl]methyl acetate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(4-Chlorophenyl)-1,3-dioxolan-4-yl]methyl acetate. With a topological polar surface area (TPSA) of 44.8 Ų, [2-(4-Chlorophenyl)-1,3-dioxolan-4-yl]methyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-(4-Chlorophenyl)-1,3-dioxolan-4-yl]methyl 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 [2-(4-Chlorophenyl)-1,3-dioxolan-4-yl]methyl acetate?
The CAS number of [2-(4-Chlorophenyl)-1,3-dioxolan-4-yl]methyl acetate is 6278-86-0.
What is the molecular formula of [2-(4-Chlorophenyl)-1,3-dioxolan-4-yl]methyl acetate?
The molecular formula of [2-(4-Chlorophenyl)-1,3-dioxolan-4-yl]methyl acetate is C12H13ClO4.
What is the molecular weight of [2-(4-Chlorophenyl)-1,3-dioxolan-4-yl]methyl acetate?
The molecular weight of [2-(4-Chlorophenyl)-1,3-dioxolan-4-yl]methyl acetate is 256.05 g/mol.
Where can I buy [2-(4-Chlorophenyl)-1,3-dioxolan-4-yl]methyl acetate?
You can request a quote for [2-(4-Chlorophenyl)-1,3-dioxolan-4-yl]methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(4-Chlorophenyl)-1,3-dioxolan-4-yl]methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for [2-(4-Chlorophenyl)-1,3-dioxolan-4-yl]methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.