1-Isopropoxy-2-propanol
TL;DR: 1-Isopropoxy-2-propanol (CAS 3944-36-3) is a chemical compound with molecular formula C6H14O2 and molecular weight 118.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-propan-2-yloxypropan-2-ol
Also Known As: 1-Isopropoxy-2-propanol, 1-Isopropoxypropan-2-ol, 2-Propanol, 1-(1-methylethoxy)-, 2-Isopropoxypropanol, 1-propan-2-yloxypropan-2-ol
| Molecular Formula | C6H14O2 |
|---|---|
| Molecular Weight | 118.10 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 118.09938 |
| Heavy Atoms | 8 |
| Complexity | 52.0 |
Chemical Identifiers
| CAS Number | 3944-36-3 |
|---|---|
| SMILES | CC(C)OCC(C)O |
| InChIKey | AFHJYKBGDDJSRR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Isopropoxy-2-propanol (CAS 3944-36-3), with molecular formula C6H14O2 and molecular weight 118.10 g/mol. IUPAC: 1-propan-2-yloxypropan-2-ol.
Chemical Property Profile of 1-Isopropoxy-2-propanol
Property Insights of 1-Isopropoxy-2-propanol
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Isopropoxy-2-propanol. With a topological polar surface area (TPSA) of 29.5 Ų, 1-Isopropoxy-2-propanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isopropoxy-2-propanol has 1 hydrogen bond donor(s) and 2 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-Isopropoxy-2-propanol?
The CAS number of 1-Isopropoxy-2-propanol is 3944-36-3.
What is the molecular formula of 1-Isopropoxy-2-propanol?
The molecular formula of 1-Isopropoxy-2-propanol is C6H14O2.
What is the molecular weight of 1-Isopropoxy-2-propanol?
The molecular weight of 1-Isopropoxy-2-propanol is 118.10 g/mol.
Where can I buy 1-Isopropoxy-2-propanol?
You can request a quote for 1-Isopropoxy-2-propanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Isopropoxy-2-propanol?
Yes, KEHONG BIO provides custom synthesis services for 1-Isopropoxy-2-propanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.