1,5-戊二醇
TL;DR: 1,5-戊二醇 (CAS 111-29-5) is a chemical compound with molecular formula C5H12O2 and molecular weight 104.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-戊二醇
pentane-1,5-diol
Also Known As: Pentane-1,5-diol, 1,5-PENTANEDIOL, 1,5-Dihydroxypentane, Pentamethylene glycol, Pentylene glycol
| Molecular Formula | C5H12O2 |
|---|---|
| Molecular Weight | 104.08 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 104.08373 |
| Heavy Atoms | 7 |
| Complexity | 25.0 |
| Melting Point | -18 °C |
| Boiling Point | 240 °C |
| Density | 0.9941 g/cm cu at 20 °C; 0.9858 g/cm cu at 25 °C |
| Solubility | Miscible with water |
| Flash Point | 129 °C (129.4 °C) (open cup) |
| Vapor Pressure | 0.0039 [mmHg] |
| Refractive Index | 1.4499 at 20 °C |
Chemical Identifiers
| CAS Number | 111-29-5 |
|---|---|
| SMILES | C(CCO)CCO |
| InChIKey | ALQSHHUCVQOPAS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,5-戊二醇 (CAS 111-29-5), with molecular formula C5H12O2 and molecular weight 104.08 g/mol. IUPAC: pentane-1,5-diol.
Chemical Property Profile of 1,5-戊二醇
Property Insights of 1,5-戊二醇
The XLogP value of -0.1 indicates that 1,5-戊二醇 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, 1,5-戊二醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-戊二醇 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 1,5-戊二醇?
The CAS number of 1,5-戊二醇 is 111-29-5.
What is the molecular formula of 1,5-戊二醇?
The molecular formula of 1,5-戊二醇 is C5H12O2.
What is the molecular weight of 1,5-戊二醇?
The molecular weight of 1,5-戊二醇 is 104.08 g/mol.
Where can I buy 1,5-戊二醇?
You can request a quote for 1,5-戊二醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-戊二醇?
Yes, KEHONG BIO provides custom synthesis services for 1,5-戊二醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.