2-(Acetyloxy)-5-chlorobenzyl acetate
TL;DR: 2-(Acetyloxy)-5-chlorobenzyl acetate (CAS 6957-45-5) is a chemical compound with molecular formula C11H11ClO4 and molecular weight 242.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetyloxy-5-chlorophenyl)methyl acetate
Also Known As: 2-(acetyloxy)-5-chlorobenzyl acetate, 2-acetoxy-5-chlorobenzyl acetate, (2-acetyloxy-5-chlorophenyl)methyl acetate, [2-(ACETYLOXY)-5-CHLOROPHENYL]METHYL ACETATE, RefChem:253083
| Molecular Formula | C11H11ClO4 |
|---|---|
| Molecular Weight | 242.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 242.03459 |
| Heavy Atoms | 16 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 6957-45-5 |
|---|---|
| SMILES | CC(=O)OCC1=C(C=CC(=C1)Cl)OC(=O)C |
| InChIKey | DXKVEVAVGWRCFH-UHFFFAOYSA-N |
Product Overview
2-(Acetyloxy)-5-chlorobenzyl acetate (CAS 6957-45-5), with molecular formula C11H11ClO4 and molecular weight 242.03 g/mol. IUPAC: (2-acetyloxy-5-chlorophenyl)methyl acetate.
Chemical Property Profile of 2-(Acetyloxy)-5-chlorobenzyl acetate
Property Insights of 2-(Acetyloxy)-5-chlorobenzyl acetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Acetyloxy)-5-chlorobenzyl acetate. With a topological polar surface area (TPSA) of 52.6 Ų, 2-(Acetyloxy)-5-chlorobenzyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Acetyloxy)-5-chlorobenzyl 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-(Acetyloxy)-5-chlorobenzyl acetate?
The CAS number of 2-(Acetyloxy)-5-chlorobenzyl acetate is 6957-45-5.
What is the molecular formula of 2-(Acetyloxy)-5-chlorobenzyl acetate?
The molecular formula of 2-(Acetyloxy)-5-chlorobenzyl acetate is C11H11ClO4.
What is the molecular weight of 2-(Acetyloxy)-5-chlorobenzyl acetate?
The molecular weight of 2-(Acetyloxy)-5-chlorobenzyl acetate is 242.03 g/mol.
Where can I buy 2-(Acetyloxy)-5-chlorobenzyl acetate?
You can request a quote for 2-(Acetyloxy)-5-chlorobenzyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Acetyloxy)-5-chlorobenzyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Acetyloxy)-5-chlorobenzyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.