(1-~2~H_1_)Propan-2-one
TL;DR: (1-~2~H_1_)Propan-2-one (CAS 4468-52-4) is a chemical compound with molecular formula C3H6O and molecular weight 59.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-deuteriopropan-2-one
Also Known As: Acetone-d, deuteroacetone, Chevron acetone, 1-deuteriopropan-2-one, 2-Propanone-1-d
| Molecular Formula | C3H6O |
|---|---|
| Molecular Weight | 59.05 g/mol |
| LogP | 0.5953 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 59.04814 |
| Heavy Atoms | 4 |
| Complexity | 42.157722 |
Chemical Identifiers
| CAS Number | 4468-52-4 |
|---|---|
| SMILES | [2H]CC(=O)C |
Product Overview
(1-~2~H_1_)Propan-2-one (CAS 4468-52-4), with molecular formula C3H6O and molecular weight 59.05 g/mol. IUPAC: 1-deuteriopropan-2-one.
Chemical Property Profile of (1-~2~H_1_)Propan-2-one
Property Insights of (1-~2~H_1_)Propan-2-one
The XLogP value of 0.5953 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-~2~H_1_)Propan-2-one. With a topological polar surface area (TPSA) of 17.07 Ų, (1-~2~H_1_)Propan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-~2~H_1_)Propan-2-one 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 (1-~2~H_1_)Propan-2-one?
The CAS number of (1-~2~H_1_)Propan-2-one is 4468-52-4.
What is the molecular formula of (1-~2~H_1_)Propan-2-one?
The molecular formula of (1-~2~H_1_)Propan-2-one is C3H6O.
What is the molecular weight of (1-~2~H_1_)Propan-2-one?
The molecular weight of (1-~2~H_1_)Propan-2-one is 59.05 g/mol.
Where can I buy (1-~2~H_1_)Propan-2-one?
You can request a quote for (1-~2~H_1_)Propan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-~2~H_1_)Propan-2-one?
Yes, KEHONG BIO provides custom synthesis services for (1-~2~H_1_)Propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.