3-Tert-butoxy-1,2-propanediol
TL;DR: 3-Tert-butoxy-1,2-propanediol (CAS 74338-98-0) is a chemical compound with molecular formula C7H16O3 and molecular weight 148.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-methylpropan-2-yl)oxy]propane-1,2-diol
Also Known As: (+/-)-1-tert-Butylglycerol, 3-tert-butoxy-1,2-propanediol, 3-(tert-butoxy)propane-1,2-diol, 1-O-tert-Butylglycerin, 1-O-tert-Butylglycerol
| Molecular Formula | C7H16O3 |
|---|---|
| Molecular Weight | 148.11 g/mol |
| LogP | 0.1547 |
| Topological Polar Surface Area | 49.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 148.10994 |
| Heavy Atoms | 10 |
| Complexity | 85.34223 |
Chemical Identifiers
| CAS Number | 74338-98-0 |
|---|---|
| SMILES | CC(C)(C)OCC(CO)O |
Product Overview
3-Tert-butoxy-1,2-propanediol (CAS 74338-98-0), with molecular formula C7H16O3 and molecular weight 148.11 g/mol. IUPAC: 3-[(2-methylpropan-2-yl)oxy]propane-1,2-diol.
Chemical Property Profile of 3-Tert-butoxy-1,2-propanediol
Property Insights of 3-Tert-butoxy-1,2-propanediol
The XLogP value of 0.1547 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Tert-butoxy-1,2-propanediol. With a topological polar surface area (TPSA) of 49.69 Ų, 3-Tert-butoxy-1,2-propanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Tert-butoxy-1,2-propanediol has 2 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-Tert-butoxy-1,2-propanediol?
The CAS number of 3-Tert-butoxy-1,2-propanediol is 74338-98-0.
What is the molecular formula of 3-Tert-butoxy-1,2-propanediol?
The molecular formula of 3-Tert-butoxy-1,2-propanediol is C7H16O3.
What is the molecular weight of 3-Tert-butoxy-1,2-propanediol?
The molecular weight of 3-Tert-butoxy-1,2-propanediol is 148.11 g/mol.
Where can I buy 3-Tert-butoxy-1,2-propanediol?
You can request a quote for 3-Tert-butoxy-1,2-propanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Tert-butoxy-1,2-propanediol?
Yes, KEHONG BIO provides custom synthesis services for 3-Tert-butoxy-1,2-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.