2-Hexanone-1,1,1,3,3-d5
TL;DR: 2-Hexanone-1,1,1,3,3-d5 (CAS 4840-82-8) is a chemical compound with molecular formula C6H12O and molecular weight 105.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,3,3-pentadeuteriohexan-2-one
Also Known As: 2-Hexanone-1,1,1,3,3-d5, Propylacetone, 1,1,1,3,3-pentadeuteriohexan-2-one, 2-Hexanone, 1,1,1,3,3-d5-, (1,1,1,3,3-~2~H_5_)Hexan-2-one
| Molecular Formula | C6H12O |
|---|---|
| Molecular Weight | 105.12 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 105.1202 |
| Heavy Atoms | 7 |
| Complexity | 57.0 |
Chemical Identifiers
| CAS Number | 4840-82-8 |
|---|---|
| SMILES | [2H]C([2H])([2H])C(=O)C([2H])([2H])CCC |
| InChIKey | QQZOPKMRPOGIEB-ZTIZGVCASA-N |
Product Overview
2-Hexanone-1,1,1,3,3-d5 (CAS 4840-82-8), with molecular formula C6H12O and molecular weight 105.12 g/mol. IUPAC: 1,1,1,3,3-pentadeuteriohexan-2-one.
Chemical Property Profile of 2-Hexanone-1,1,1,3,3-d5
Property Insights of 2-Hexanone-1,1,1,3,3-d5
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hexanone-1,1,1,3,3-d5. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Hexanone-1,1,1,3,3-d5 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hexanone-1,1,1,3,3-d5 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-Hexanone-1,1,1,3,3-d5?
The CAS number of 2-Hexanone-1,1,1,3,3-d5 is 4840-82-8.
What is the molecular formula of 2-Hexanone-1,1,1,3,3-d5?
The molecular formula of 2-Hexanone-1,1,1,3,3-d5 is C6H12O.
What is the molecular weight of 2-Hexanone-1,1,1,3,3-d5?
The molecular weight of 2-Hexanone-1,1,1,3,3-d5 is 105.12 g/mol.
Where can I buy 2-Hexanone-1,1,1,3,3-d5?
You can request a quote for 2-Hexanone-1,1,1,3,3-d5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hexanone-1,1,1,3,3-d5?
Yes, KEHONG BIO provides custom synthesis services for 2-Hexanone-1,1,1,3,3-d5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.