1,1-Dibutoxyacetone
TL;DR: 1,1-Dibutoxyacetone (CAS 19255-82-4) is a chemical compound with molecular formula C11H22O3 and molecular weight 202.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dibutoxypropan-2-one
Also Known As: 1,1-Dibutoxyacetone, 1,1-dibutoxypropan-2-one, 1,1-dibutoxy-2-propanone, 2-Propanone, 1,1-dibutoxy-, 1,1-Dibutoxyacetone #
| Molecular Formula | C11H22O3 |
|---|---|
| Molecular Weight | 202.16 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 202.15689 |
| Heavy Atoms | 14 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 19255-82-4 |
|---|---|
| SMILES | CCCCOC(C(=O)C)OCCCC |
| InChIKey | HCSCGYDLFNSHLE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Dibutoxyacetone (CAS 19255-82-4), with molecular formula C11H22O3 and molecular weight 202.16 g/mol. IUPAC: 1,1-dibutoxypropan-2-one.
Chemical Property Profile of 1,1-Dibutoxyacetone
Property Insights of 1,1-Dibutoxyacetone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dibutoxyacetone. With a topological polar surface area (TPSA) of 35.5 Ų, 1,1-Dibutoxyacetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dibutoxyacetone has 0 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 1,1-Dibutoxyacetone?
The CAS number of 1,1-Dibutoxyacetone is 19255-82-4.
What is the molecular formula of 1,1-Dibutoxyacetone?
The molecular formula of 1,1-Dibutoxyacetone is C11H22O3.
What is the molecular weight of 1,1-Dibutoxyacetone?
The molecular weight of 1,1-Dibutoxyacetone is 202.16 g/mol.
Where can I buy 1,1-Dibutoxyacetone?
You can request a quote for 1,1-Dibutoxyacetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dibutoxyacetone?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dibutoxyacetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.