季戊四醇
TL;DR: 季戊四醇 (CAS 115-77-5) is a chemical compound with molecular formula C5H12O4 and molecular weight 136.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
季戊四醇
2,2-bis(hydroxymethyl)propane-1,3-diol
Also Known As: PENTAERYTHRITOL, Pentek, Pentaerythrite, Auxinutril, Maxinutril
| Molecular Formula | C5H12O4 |
|---|---|
| Molecular Weight | 136.07 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 136.07356 |
| Heavy Atoms | 9 |
| Complexity | 51.0 |
| Melting Point | 261.1 °C |
| Boiling Point | Sublimes |
| Density | 1.39 at 25.0 °C |
| Solubility | 6 % at 59 °F (NIOSH, 2024) |
| Flash Point | About 240 °C (open cup) |
| Vapor Pressure | 8e-08 mmHg |
| Refractive Index | 1.548 at 25 °C |
Chemical Identifiers
| CAS Number | 115-77-5 |
|---|---|
| SMILES | C(C(CO)(CO)CO)O |
| InChIKey | WXZMFSXDPGVJKK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
季戊四醇 (CAS 115-77-5), with molecular formula C5H12O4 and molecular weight 136.07 g/mol. IUPAC: 2,2-bis(hydroxymethyl)propane-1,3-diol.
Chemical Property Profile of 季戊四醇
Property Insights of 季戊四醇
The XLogP value of -2.4 indicates that 季戊四醇 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 季戊四醇. Following Lipinski's Rule of Five, 季戊四醇 has 4 hydrogen bond donor(s) and 4 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 季戊四醇?
The CAS number of 季戊四醇 is 115-77-5.
What is the molecular formula of 季戊四醇?
The molecular formula of 季戊四醇 is C5H12O4.
What is the molecular weight of 季戊四醇?
The molecular weight of 季戊四醇 is 136.07 g/mol.
Where can I buy 季戊四醇?
You can request a quote for 季戊四醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 季戊四醇?
Yes, KEHONG BIO provides custom synthesis services for 季戊四醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.