Methylpropanediol
TL;DR: Methylpropanediol (CAS 2163-42-0) is a chemical compound with molecular formula C4H10O2 and molecular weight 90.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropane-1,3-diol
Also Known As: 2-Methyl-1,3-propanediol, 2-Methylpropane-1,3-diol, methylpropanediol, MP diol glycol, methyl propanediol
| Molecular Formula | C4H10O2 |
|---|---|
| Molecular Weight | 90.07 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 90.06808 |
| Heavy Atoms | 6 |
| Complexity | 24.0 |
| Melting Point | -91 °C |
| Boiling Point | 211 °C |
| Density | 1.015 g/ cu cm at 25 °C |
| Solubility | In water, greater than or equal to 3000 mg/L at 25 °C |
| Flash Point | 127 °C |
| Vapor Pressure | 0.02 [mmHg] |
| Refractive Index | 1.4450 at 20 °C |
Chemical Identifiers
| CAS Number | 2163-42-0 |
|---|---|
| SMILES | CC(CO)CO |
| InChIKey | QWGRWMMWNDWRQN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methylpropanediol (CAS 2163-42-0), with molecular formula C4H10O2 and molecular weight 90.07 g/mol. IUPAC: 2-methylpropane-1,3-diol.
Chemical Property Profile of Methylpropanediol
Property Insights of Methylpropanediol
The XLogP value of -0.3 indicates that Methylpropanediol 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, Methylpropanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methylpropanediol 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 Methylpropanediol?
The CAS number of Methylpropanediol is 2163-42-0.
What is the molecular formula of Methylpropanediol?
The molecular formula of Methylpropanediol is C4H10O2.
What is the molecular weight of Methylpropanediol?
The molecular weight of Methylpropanediol is 90.07 g/mol.
Where can I buy Methylpropanediol?
You can request a quote for Methylpropanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylpropanediol?
Yes, KEHONG BIO provides custom synthesis services for Methylpropanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.