4,4-Dimethoxybutan-2-ol
TL;DR: 4,4-Dimethoxybutan-2-ol (CAS 39562-58-8) is a chemical compound with molecular formula C6H14O3 and molecular weight 134.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethoxybutan-2-ol
Also Known As: 4,4-Dimethoxybutan-2-ol, 3-Hydroxybutyraldehyde Dimethyl Acetal, 4,4-Dimethoxy-2-butanol, 2-Butanol, 4,4-dimethoxy-, 1,1-dimethoxybutan-3-ol
| Molecular Formula | C6H14O3 |
|---|---|
| Molecular Weight | 134.09 g/mol |
| LogP | 0.3762 |
| Topological Polar Surface Area | 38.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 134.0943 |
| Heavy Atoms | 9 |
| Complexity | 59.32331 |
Chemical Identifiers
| CAS Number | 39562-58-8 |
|---|---|
| SMILES | CC(CC(OC)OC)O |
Product Overview
4,4-Dimethoxybutan-2-ol (CAS 39562-58-8), with molecular formula C6H14O3 and molecular weight 134.09 g/mol. IUPAC: 4,4-dimethoxybutan-2-ol.
Chemical Property Profile of 4,4-Dimethoxybutan-2-ol
Property Insights of 4,4-Dimethoxybutan-2-ol
The XLogP value of 0.3762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dimethoxybutan-2-ol. With a topological polar surface area (TPSA) of 38.69 Ų, 4,4-Dimethoxybutan-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Dimethoxybutan-2-ol 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 4,4-Dimethoxybutan-2-ol?
The CAS number of 4,4-Dimethoxybutan-2-ol is 39562-58-8.
What is the molecular formula of 4,4-Dimethoxybutan-2-ol?
The molecular formula of 4,4-Dimethoxybutan-2-ol is C6H14O3.
What is the molecular weight of 4,4-Dimethoxybutan-2-ol?
The molecular weight of 4,4-Dimethoxybutan-2-ol is 134.09 g/mol.
Where can I buy 4,4-Dimethoxybutan-2-ol?
You can request a quote for 4,4-Dimethoxybutan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethoxybutan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethoxybutan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.