1,3-丁二醇
TL;DR: 1,3-丁二醇 (CAS 107-88-0) 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.
1,3-丁二醇
butane-1,3-diol
Also Known As: 1,3-BUTANEDIOL, Butane-1,3-diol, Butylene glycol, 1,3-Butylene glycol, 1,3-Dihydroxybutane
| Molecular Formula | C4H10O2 |
|---|---|
| Molecular Weight | 90.07 g/mol |
| LogP | -0.4 |
| 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 | 28.0 |
| Melting Point | < -50 °C |
| Boiling Point | 207.5 °C |
| Density | 1.0053 g/cu cm at 20 °C |
| Solubility | Miscible with water |
| Flash Point | 121 °C |
| Vapor Pressure | 0.02 [mmHg] |
| Refractive Index | 1.4401 at 20 °C |
Chemical Identifiers
| CAS Number | 107-88-0 |
|---|---|
| SMILES | CC(CCO)O |
| InChIKey | PUPZLCDOIYMWBV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-丁二醇 (CAS 107-88-0), with molecular formula C4H10O2 and molecular weight 90.07 g/mol. IUPAC: butane-1,3-diol.
Chemical Property Profile of 1,3-丁二醇
Property Insights of 1,3-丁二醇
The XLogP value of -0.4 indicates that 1,3-丁二醇 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-丁二醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-丁二醇 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-丁二醇?
The CAS number of 1,3-丁二醇 is 107-88-0.
What is the molecular formula of 1,3-丁二醇?
The molecular formula of 1,3-丁二醇 is C4H10O2.
What is the molecular weight of 1,3-丁二醇?
The molecular weight of 1,3-丁二醇 is 90.07 g/mol.
Where can I buy 1,3-丁二醇?
You can request a quote for 1,3-丁二醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-丁二醇?
Yes, KEHONG BIO provides custom synthesis services for 1,3-丁二醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.