3-Hydroxypropyl propanoate
TL;DR: 3-Hydroxypropyl propanoate (CAS 155299-59-5) 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.
3-hydroxypropyl propanoate
Also Known As: 3-hydroxypropyl propanoate, Propyl 3-hydroxybutanoate, 1,3-Propylene glycol monopropionate, Propanoic acid 3-hydroxypropyl ester, Propionic acid 3-hydroxypropyl ester
| Molecular Formula | C6H12O3 |
|---|---|
| Molecular Weight | 132.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 132.07864 |
| Heavy Atoms | 9 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 155299-59-5 |
|---|---|
| SMILES | CCC(=O)OCCCO |
| InChIKey | AYIRHANHVDOYDJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxypropyl propanoate (CAS 155299-59-5), with molecular formula C6H12O3 and molecular weight 132.08 g/mol. IUPAC: 3-hydroxypropyl propanoate.
Chemical Property Profile of 3-Hydroxypropyl propanoate
Property Insights of 3-Hydroxypropyl propanoate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxypropyl propanoate. With a topological polar surface area (TPSA) of 46.5 Ų, 3-Hydroxypropyl propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxypropyl 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 3-Hydroxypropyl propanoate?
The CAS number of 3-Hydroxypropyl propanoate is 155299-59-5.
What is the molecular formula of 3-Hydroxypropyl propanoate?
The molecular formula of 3-Hydroxypropyl propanoate is C6H12O3.
What is the molecular weight of 3-Hydroxypropyl propanoate?
The molecular weight of 3-Hydroxypropyl propanoate is 132.08 g/mol.
Where can I buy 3-Hydroxypropyl propanoate?
You can request a quote for 3-Hydroxypropyl propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxypropyl propanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxypropyl propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.