Rosacetol
TL;DR: Rosacetol (CAS 90-17-5) is a chemical compound with molecular formula C10H9Cl3O2 and molecular weight 265.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2,2-trichloro-1-phenylethyl) acetate
Also Known As: Rosacetol, 2,2,2-Trichloro-1-phenylethyl acetate, Rose crystals, Rosephenone, Rosetone
| Molecular Formula | C10H9Cl3O2 |
|---|---|
| Molecular Weight | 265.97 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.96683 |
| Heavy Atoms | 15 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 90-17-5 |
|---|---|
| SMILES | CC(=O)OC(C1=CC=CC=C1)C(Cl)(Cl)Cl |
| InChIKey | JKRWZLOCPLZZEI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Rosacetol (CAS 90-17-5), with molecular formula C10H9Cl3O2 and molecular weight 265.97 g/mol. IUPAC: (2,2,2-trichloro-1-phenylethyl) acetate.
Chemical Property Profile of Rosacetol
Property Insights of Rosacetol
The XLogP value of 3.5 indicates that Rosacetol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Rosacetol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Rosacetol has 0 hydrogen bond donor(s) and 2 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 Rosacetol?
The CAS number of Rosacetol is 90-17-5.
What is the molecular formula of Rosacetol?
The molecular formula of Rosacetol is C10H9Cl3O2.
What is the molecular weight of Rosacetol?
The molecular weight of Rosacetol is 265.97 g/mol.
Where can I buy Rosacetol?
You can request a quote for Rosacetol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rosacetol?
Yes, KEHONG BIO provides custom synthesis services for Rosacetol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.