2-Pentanone, 4-methyl-1,1,1,3,3-d5-
TL;DR: 2-Pentanone, 4-methyl-1,1,1,3,3-d5- (CAS 4840-81-7) 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-pentadeuterio-4-methylpentan-2-one
Also Known As: Isopropylacetone, 4-Methyl-2-pentanone-d5, 4-Methyl-2-pentanone-1,1,1,3,3-d5, 2-Pentanone, 4-methyl-1,1,1,3,3-d5-, 4-Methyl-2-pentanone-[d5]
| Molecular Formula | C6H12O |
|---|---|
| Molecular Weight | 105.12 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 105.1202 |
| Heavy Atoms | 7 |
| Complexity | 64.0 |
Chemical Identifiers
| CAS Number | 4840-81-7 |
|---|---|
| SMILES | [2H]C([2H])([2H])C(=O)C([2H])([2H])C(C)C |
| InChIKey | NTIZESTWPVYFNL-IKISXXDZSA-N |
Product Overview
2-Pentanone, 4-methyl-1,1,1,3,3-d5- (CAS 4840-81-7), with molecular formula C6H12O and molecular weight 105.12 g/mol. IUPAC: 1,1,1,3,3-pentadeuterio-4-methylpentan-2-one.
Chemical Property Profile of 2-Pentanone, 4-methyl-1,1,1,3,3-d5-
Property Insights of 2-Pentanone, 4-methyl-1,1,1,3,3-d5-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pentanone, 4-methyl-1,1,1,3,3-d5-. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Pentanone, 4-methyl-1,1,1,3,3-d5- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pentanone, 4-methyl-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-Pentanone, 4-methyl-1,1,1,3,3-d5-?
The CAS number of 2-Pentanone, 4-methyl-1,1,1,3,3-d5- is 4840-81-7.
What is the molecular formula of 2-Pentanone, 4-methyl-1,1,1,3,3-d5-?
The molecular formula of 2-Pentanone, 4-methyl-1,1,1,3,3-d5- is C6H12O.
What is the molecular weight of 2-Pentanone, 4-methyl-1,1,1,3,3-d5-?
The molecular weight of 2-Pentanone, 4-methyl-1,1,1,3,3-d5- is 105.12 g/mol.
Where can I buy 2-Pentanone, 4-methyl-1,1,1,3,3-d5-?
You can request a quote for 2-Pentanone, 4-methyl-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-Pentanone, 4-methyl-1,1,1,3,3-d5-?
Yes, KEHONG BIO provides custom synthesis services for 2-Pentanone, 4-methyl-1,1,1,3,3-d5- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.