Diacetyl iso-Propanol
TL;DR: Diacetyl iso-Propanol (CAS 161771-60-4) is a chemical compound with molecular formula C7H12O3 and molecular weight 144.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-3-methylhexane-2,5-dione
Also Known As: Diacetyl iso-Propanol, 3-hydroxy-3-methyl-hexane-2,5-dione, 2,5-Hexanedione, 3-hydroxy-3-methyl- (9CI)
| Molecular Formula | C7H12O3 |
|---|---|
| Molecular Weight | 144.08 g/mol |
| LogP | 0.3055 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 144.07864 |
| Heavy Atoms | 10 |
| Complexity | 158.23416 |
Chemical Identifiers
| CAS Number | 161771-60-4 |
|---|---|
| SMILES | CC(=O)CC(C)(C(=O)C)O |
Product Overview
Diacetyl iso-Propanol (CAS 161771-60-4), with molecular formula C7H12O3 and molecular weight 144.08 g/mol. IUPAC: 3-hydroxy-3-methylhexane-2,5-dione.
Chemical Property Profile of Diacetyl iso-Propanol
Property Insights of Diacetyl iso-Propanol
The XLogP value of 0.3055 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diacetyl iso-Propanol. With a topological polar surface area (TPSA) of 54.37 Ų, Diacetyl iso-Propanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diacetyl iso-Propanol has 1 hydrogen bond donor(s) and 3 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 Diacetyl iso-Propanol?
The CAS number of Diacetyl iso-Propanol is 161771-60-4.
What is the molecular formula of Diacetyl iso-Propanol?
The molecular formula of Diacetyl iso-Propanol is C7H12O3.
What is the molecular weight of Diacetyl iso-Propanol?
The molecular weight of Diacetyl iso-Propanol is 144.08 g/mol.
Where can I buy Diacetyl iso-Propanol?
You can request a quote for Diacetyl iso-Propanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diacetyl iso-Propanol?
Yes, KEHONG BIO provides custom synthesis services for Diacetyl iso-Propanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.