1,2-Propanediol, 1-propanoate
TL;DR: 1,2-Propanediol, 1-propanoate (CAS 54541-19-4) 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.
2-hydroxypropyl propanoate
Also Known As: 2-Hydroxypropyl propionate, 2-hydroxypropyl propanoate, 2-hydroxypropylpropionate, Propane-1,2-diol, monopropionate, 2-Hydroxypropyl propanoatato
| Molecular Formula | C6H12O3 |
|---|---|
| Molecular Weight | 132.08 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 132.07864 |
| Heavy Atoms | 9 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 54541-19-4 |
|---|---|
| SMILES | CCC(=O)OCC(C)O |
| InChIKey | AAMWEWAFFUFOJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Propanediol, 1-propanoate (CAS 54541-19-4), with molecular formula C6H12O3 and molecular weight 132.08 g/mol. IUPAC: 2-hydroxypropyl propanoate.
Chemical Property Profile of 1,2-Propanediol, 1-propanoate
Property Insights of 1,2-Propanediol, 1-propanoate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Propanediol, 1-propanoate. With a topological polar surface area (TPSA) of 46.5 Ų, 1,2-Propanediol, 1-propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Propanediol, 1-propanoate 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 1,2-Propanediol, 1-propanoate?
The CAS number of 1,2-Propanediol, 1-propanoate is 54541-19-4.
What is the molecular formula of 1,2-Propanediol, 1-propanoate?
The molecular formula of 1,2-Propanediol, 1-propanoate is C6H12O3.
What is the molecular weight of 1,2-Propanediol, 1-propanoate?
The molecular weight of 1,2-Propanediol, 1-propanoate is 132.08 g/mol.
Where can I buy 1,2-Propanediol, 1-propanoate?
You can request a quote for 1,2-Propanediol, 1-propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Propanediol, 1-propanoate?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Propanediol, 1-propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.