3-Hydroxy-1-methylpropyl acetate
TL;DR: 3-Hydroxy-1-methylpropyl acetate (CAS 75355-65-6) is a chemical compound with molecular formula C6H12O3 and molecular weight 132.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxybutan-2-yl acetate
Also Known As: 3-Hydroxy-1-methylpropyl acetate, 4-hydroxybutan-2-yl acetate, 1,3-Butanediol 3-acetate, EINECS 278-191-7, Acetic acid 1-methyl-3-hydroxypropyl ester
| Molecular Formula | C6H12O3 |
|---|---|
| Molecular Weight | 132.08 g/mol |
| LogP | 0.3204 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 132.07864 |
| Heavy Atoms | 9 |
| Complexity | 90.303764 |
Chemical Identifiers
| CAS Number | 75355-65-6 |
|---|---|
| SMILES | CC(CCO)OC(=O)C |
Product Overview
3-Hydroxy-1-methylpropyl acetate (CAS 75355-65-6), with molecular formula C6H12O3 and molecular weight 132.08 g/mol. IUPAC: 4-hydroxybutan-2-yl acetate.
Chemical Property Profile of 3-Hydroxy-1-methylpropyl acetate
Property Insights of 3-Hydroxy-1-methylpropyl acetate
The XLogP value of 0.3204 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-1-methylpropyl acetate. With a topological polar surface area (TPSA) of 46.53 Ų, 3-Hydroxy-1-methylpropyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-1-methylpropyl acetate 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 3-Hydroxy-1-methylpropyl acetate?
The CAS number of 3-Hydroxy-1-methylpropyl acetate is 75355-65-6.
What is the molecular formula of 3-Hydroxy-1-methylpropyl acetate?
The molecular formula of 3-Hydroxy-1-methylpropyl acetate is C6H12O3.
What is the molecular weight of 3-Hydroxy-1-methylpropyl acetate?
The molecular weight of 3-Hydroxy-1-methylpropyl acetate is 132.08 g/mol.
Where can I buy 3-Hydroxy-1-methylpropyl acetate?
You can request a quote for 3-Hydroxy-1-methylpropyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-1-methylpropyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-1-methylpropyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.