1,3-Butanediol, 2-(hydroxymethyl)-
TL;DR: 1,3-Butanediol, 2-(hydroxymethyl)- (CAS 67953-02-0) is a chemical compound with molecular formula C5H12O3 and molecular weight 120.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(hydroxymethyl)butane-1,3-diol
Also Known As: 2-Hydroxymethyl-1,3-butanediol, 2-(Hydroxymethyl)butane-1,3-diol, 2- butane-1,3-diol, 1,3-Butanediol, 2-(hydroxymethyl)-, 2-(Hydroxymethyl)-1,3-butanediol
| Molecular Formula | C5H12O3 |
|---|---|
| Molecular Weight | 120.08 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 120.07864 |
| Heavy Atoms | 8 |
| Complexity | 51.0 |
Chemical Identifiers
| CAS Number | 67953-02-0 |
|---|---|
| SMILES | CC(C(CO)CO)O |
| InChIKey | BTAREPMBYAAWOX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Butanediol, 2-(hydroxymethyl)- (CAS 67953-02-0), with molecular formula C5H12O3 and molecular weight 120.08 g/mol. IUPAC: 2-(hydroxymethyl)butane-1,3-diol.
Chemical Property Profile of 1,3-Butanediol, 2-(hydroxymethyl)-
Property Insights of 1,3-Butanediol, 2-(hydroxymethyl)-
The XLogP value of -1.1 indicates that 1,3-Butanediol, 2-(hydroxymethyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Butanediol, 2-(hydroxymethyl)-. Following Lipinski's Rule of Five, 1,3-Butanediol, 2-(hydroxymethyl)- has 3 hydrogen bond donor(s) and 3 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-Butanediol, 2-(hydroxymethyl)-?
The CAS number of 1,3-Butanediol, 2-(hydroxymethyl)- is 67953-02-0.
What is the molecular formula of 1,3-Butanediol, 2-(hydroxymethyl)-?
The molecular formula of 1,3-Butanediol, 2-(hydroxymethyl)- is C5H12O3.
What is the molecular weight of 1,3-Butanediol, 2-(hydroxymethyl)-?
The molecular weight of 1,3-Butanediol, 2-(hydroxymethyl)- is 120.08 g/mol.
Where can I buy 1,3-Butanediol, 2-(hydroxymethyl)-?
You can request a quote for 1,3-Butanediol, 2-(hydroxymethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Butanediol, 2-(hydroxymethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Butanediol, 2-(hydroxymethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.