1,3-丙二醇
TL;DR: 1,3-丙二醇 (CAS 504-63-2) is a chemical compound with molecular formula C3H8O2 and molecular weight 76.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-丙二醇
propane-1,3-diol
Also Known As: 1,3-PROPANEDIOL, Propane-1,3-diol, Trimethylene glycol, 1,3-Dihydroxypropane, 2-Deoxyglycerol
| Molecular Formula | C3H8O2 |
|---|---|
| Molecular Weight | 76.05 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 76.05243 |
| Heavy Atoms | 5 |
| Complexity | 12.0 |
| Boiling Point | 210-212 °C |
| Density | 1.0597 at 20 °C |
| Solubility | Miscible with water |
| Flash Point | Flash Point: 78.9 °C/ 345 °C /closed cup/ |
| Vapor Pressure | 0.04 [mmHg] |
| Refractive Index | 1.4398 at 20 °C |
Chemical Identifiers
| CAS Number | 504-63-2 |
|---|---|
| SMILES | C(CO)CO |
| InChIKey | YPFDHNVEDLHUCE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-丙二醇 (CAS 504-63-2), with molecular formula C3H8O2 and molecular weight 76.05 g/mol. IUPAC: propane-1,3-diol.
Chemical Property Profile of 1,3-丙二醇
Property Insights of 1,3-丙二醇
The XLogP value of -1.0 indicates that 1,3-丙二醇 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.5 Ų, 1,3-丙二醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-丙二醇 has 2 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 1,3-丙二醇?
The CAS number of 1,3-丙二醇 is 504-63-2.
What is the molecular formula of 1,3-丙二醇?
The molecular formula of 1,3-丙二醇 is C3H8O2.
What is the molecular weight of 1,3-丙二醇?
The molecular weight of 1,3-丙二醇 is 76.05 g/mol.
Where can I buy 1,3-丙二醇?
You can request a quote for 1,3-丙二醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-丙二醇?
Yes, KEHONG BIO provides custom synthesis services for 1,3-丙二醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.