三聚乙醛
TL;DR: 三聚乙醛 (CAS 123-63-7) 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.
三聚乙醛
2,4,6-trimethyl-1,3,5-trioxane
Also Known As: PARALDEHYDE, Paracetaldehyde, Paral, 2,4,6-Trimethyl-1,3,5-trioxane, Paraldehyd
| Molecular Formula | C6H12O3 |
|---|---|
| Molecular Weight | 132.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 132.07864 |
| Heavy Atoms | 9 |
| Complexity | 63.0 |
| Melting Point | 12.6 °C |
| Boiling Point | 127.8 °C at 760 mmHg |
| Density | 0.9943 at 20.0 °C - Less dense than water; will float |
| Solubility | Sparingly soluble (NTP, 1992) |
| Flash Point | 35.6 °C |
| Vapor Pressure | 11.0 [mmHg] |
| Refractive Index | 1.4049 AT 20 °C |
Chemical Identifiers
| CAS Number | 123-63-7 |
|---|---|
| SMILES | CC1OC(OC(O1)C)C |
| InChIKey | SQYNKIJPMDEDEG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三聚乙醛 (CAS 123-63-7), with molecular formula C6H12O3 and molecular weight 132.08 g/mol. IUPAC: 2,4,6-trimethyl-1,3,5-trioxane.
Chemical Property Profile of 三聚乙醛
Property Insights of 三聚乙醛
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 三聚乙醛. With a topological polar surface area (TPSA) of 27.7 Ų, 三聚乙醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三聚乙醛 has 0 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 三聚乙醛?
The CAS number of 三聚乙醛 is 123-63-7.
What is the molecular formula of 三聚乙醛?
The molecular formula of 三聚乙醛 is C6H12O3.
What is the molecular weight of 三聚乙醛?
The molecular weight of 三聚乙醛 is 132.08 g/mol.
Where can I buy 三聚乙醛?
You can request a quote for 三聚乙醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三聚乙醛?
Yes, KEHONG BIO provides custom synthesis services for 三聚乙醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.