氘代丙酮
TL;DR: 氘代丙酮 (CAS 666-52-4) is a chemical compound with molecular formula C3H6O and molecular weight 64.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氘代丙酮
1,1,1,3,3,3-hexadeuteriopropan-2-one
Also Known As: Acetone-d6, Acetone d6, Hexadeuteroacetone, (2H6)Acetone, Perdeuteroacetone
| Molecular Formula | C3H6O |
|---|---|
| Molecular Weight | 64.08 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 64.07953 |
| Heavy Atoms | 4 |
| Complexity | 26.0 |
Chemical Identifiers
| CAS Number | 666-52-4 |
|---|---|
| SMILES | [2H]C([2H])([2H])C(=O)C([2H])([2H])[2H] |
| InChIKey | CSCPPACGZOOCGX-WFGJKAKNSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氘代丙酮 (CAS 666-52-4), with molecular formula C3H6O and molecular weight 64.08 g/mol. IUPAC: 1,1,1,3,3,3-hexadeuteriopropan-2-one.
Chemical Property Profile of 氘代丙酮
Property Insights of 氘代丙酮
The XLogP value of -0.1 indicates that 氘代丙酮 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 17.1 Ų, 氘代丙酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氘代丙酮 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 氘代丙酮?
The CAS number of 氘代丙酮 is 666-52-4.
What is the molecular formula of 氘代丙酮?
The molecular formula of 氘代丙酮 is C3H6O.
What is the molecular weight of 氘代丙酮?
The molecular weight of 氘代丙酮 is 64.08 g/mol.
Where can I buy 氘代丙酮?
You can request a quote for 氘代丙酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氘代丙酮?
Yes, KEHONG BIO provides custom synthesis services for 氘代丙酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.