2-Butanone-1,1,1-d3, 3,3-dimethyl-
TL;DR: 2-Butanone-1,1,1-d3, 3,3-dimethyl- (CAS 29366-08-3) is a chemical compound with molecular formula C6H12O and molecular weight 103.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trideuterio-3,3-dimethylbutan-2-one
Also Known As: Pinacolone, 2-Butanone-1,1,1-d3, 3,3-dimethyl-, 1,1,1-trideuterio-3,3-dimethylbutan-2-one, 3,3-Dimethyl(1,1,1-~2~H_3_)butan-2-one, RefChem:257857
| Molecular Formula | C6H12O |
|---|---|
| Molecular Weight | 103.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 103.10764 |
| Heavy Atoms | 7 |
| Complexity | 76.0 |
Chemical Identifiers
| CAS Number | 29366-08-3 |
|---|---|
| SMILES | [2H]C([2H])([2H])C(=O)C(C)(C)C |
| InChIKey | PJGSXYOJTGTZAV-FIBGUPNXSA-N |
Product Overview
2-Butanone-1,1,1-d3, 3,3-dimethyl- (CAS 29366-08-3), with molecular formula C6H12O and molecular weight 103.11 g/mol. IUPAC: 1,1,1-trideuterio-3,3-dimethylbutan-2-one.
Chemical Property Profile of 2-Butanone-1,1,1-d3, 3,3-dimethyl-
Property Insights of 2-Butanone-1,1,1-d3, 3,3-dimethyl-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butanone-1,1,1-d3, 3,3-dimethyl-. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Butanone-1,1,1-d3, 3,3-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butanone-1,1,1-d3, 3,3-dimethyl- 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 2-Butanone-1,1,1-d3, 3,3-dimethyl-?
The CAS number of 2-Butanone-1,1,1-d3, 3,3-dimethyl- is 29366-08-3.
What is the molecular formula of 2-Butanone-1,1,1-d3, 3,3-dimethyl-?
The molecular formula of 2-Butanone-1,1,1-d3, 3,3-dimethyl- is C6H12O.
What is the molecular weight of 2-Butanone-1,1,1-d3, 3,3-dimethyl-?
The molecular weight of 2-Butanone-1,1,1-d3, 3,3-dimethyl- is 103.11 g/mol.
Where can I buy 2-Butanone-1,1,1-d3, 3,3-dimethyl-?
You can request a quote for 2-Butanone-1,1,1-d3, 3,3-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butanone-1,1,1-d3, 3,3-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butanone-1,1,1-d3, 3,3-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.