2,3-丁二醇
TL;DR: 2,3-丁二醇 (CAS 513-85-9) 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.
2,3-丁二醇
butane-2,3-diol
Also Known As: 2,3-butanediol, Butane-2,3-diol, 2,3-butylene glycol, 2,3-Dihydroxybutane, Dimethylene glycol
| Molecular Formula | C4H10O2 |
|---|---|
| Molecular Weight | 90.07 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 90.06808 |
| Heavy Atoms | 6 |
| Complexity | 30.0 |
| Melting Point | 19 °C |
| Boiling Point | BP: 182 °C at 1 atm |
| Density | 1.045 at 20 °C/20 °C |
| Solubility | In water, miscible at 20 °C |
| Flash Point | 85 °C |
| Vapor Pressure | 0.24 [mmHg] |
| Refractive Index | 1.438 at 20 °C |
Chemical Identifiers
| CAS Number | 513-85-9 |
|---|---|
| SMILES | CC(C(C)O)O |
| InChIKey | OWBTYPJTUOEWEK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-丁二醇 (CAS 513-85-9), with molecular formula C4H10O2 and molecular weight 90.07 g/mol. IUPAC: butane-2,3-diol.
Chemical Property Profile of 2,3-丁二醇
Property Insights of 2,3-丁二醇
The XLogP value of -0.9 indicates that 2,3-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, 2,3-丁二醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-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 2,3-丁二醇?
The CAS number of 2,3-丁二醇 is 513-85-9.
What is the molecular formula of 2,3-丁二醇?
The molecular formula of 2,3-丁二醇 is C4H10O2.
What is the molecular weight of 2,3-丁二醇?
The molecular weight of 2,3-丁二醇 is 90.07 g/mol.
Where can I buy 2,3-丁二醇?
You can request a quote for 2,3-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 2,3-丁二醇?
Yes, KEHONG BIO provides custom synthesis services for 2,3-丁二醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.