Acetophenone-alpha,alpha,alpha-d3
TL;DR: Acetophenone-alpha,alpha,alpha-d3 (CAS 17537-31-4) is a chemical compound with molecular formula C8H8O and molecular weight 123.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trideuterio-1-phenylethanone
Also Known As: acetophenone-d3, Aceto-D3-phenone, Aceto-d3 phenone, Acetophenone-alpha,alpha,alpha-d3, trideuteroacetophenone
| Molecular Formula | C8H8O |
|---|---|
| Molecular Weight | 123.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 123.07635 |
| Heavy Atoms | 9 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 17537-31-4 |
|---|---|
| SMILES | [2H]C([2H])([2H])C(=O)C1=CC=CC=C1 |
| InChIKey | KWOLFJPFCHCOCG-FIBGUPNXSA-N |
Product Overview
Acetophenone-alpha,alpha,alpha-d3 (CAS 17537-31-4), with molecular formula C8H8O and molecular weight 123.08 g/mol. IUPAC: 2,2,2-trideuterio-1-phenylethanone.
Chemical Property Profile of Acetophenone-alpha,alpha,alpha-d3
Property Insights of Acetophenone-alpha,alpha,alpha-d3
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetophenone-alpha,alpha,alpha-d3. With a topological polar surface area (TPSA) of 17.1 Ų, Acetophenone-alpha,alpha,alpha-d3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetophenone-alpha,alpha,alpha-d3 has 0 hydrogen bond donor(s) and 1 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 Acetophenone-alpha,alpha,alpha-d3?
The CAS number of Acetophenone-alpha,alpha,alpha-d3 is 17537-31-4.
What is the molecular formula of Acetophenone-alpha,alpha,alpha-d3?
The molecular formula of Acetophenone-alpha,alpha,alpha-d3 is C8H8O.
What is the molecular weight of Acetophenone-alpha,alpha,alpha-d3?
The molecular weight of Acetophenone-alpha,alpha,alpha-d3 is 123.08 g/mol.
Where can I buy Acetophenone-alpha,alpha,alpha-d3?
You can request a quote for Acetophenone-alpha,alpha,alpha-d3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetophenone-alpha,alpha,alpha-d3?
Yes, KEHONG BIO provides custom synthesis services for Acetophenone-alpha,alpha,alpha-d3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.