1-(2-Furyl)-3-methyl-1,2-butanediol
TL;DR: 1-(2-Furyl)-3-methyl-1,2-butanediol (CAS 21221-66-9) is a chemical compound with molecular formula C9H14O3 and molecular weight 170.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(furan-2-yl)-3-methylbutane-1,2-diol
Also Known As: 1-(2-Furyl)-3-methyl-1,2-butanediol, 1- -3-methyl-1,2-butanediol, 1-(furan-2-yl)-3-methylbutane-1,2-diol, 1,2-Butanediol, 1-(2-furyl)-3-methyl-, 1-(2-Furyl)-3-methyl-1,2-butanediol #
| Molecular Formula | C9H14O3 |
|---|---|
| Molecular Weight | 170.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.0943 |
| Heavy Atoms | 12 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 21221-66-9 |
|---|---|
| SMILES | CC(C)C(C(C1=CC=CO1)O)O |
| InChIKey | PERKXPFCOVDSKA-UHFFFAOYSA-N |
Product Overview
1-(2-Furyl)-3-methyl-1,2-butanediol (CAS 21221-66-9), with molecular formula C9H14O3 and molecular weight 170.09 g/mol. IUPAC: 1-(furan-2-yl)-3-methylbutane-1,2-diol.
Chemical Property Profile of 1-(2-Furyl)-3-methyl-1,2-butanediol
Property Insights of 1-(2-Furyl)-3-methyl-1,2-butanediol
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Furyl)-3-methyl-1,2-butanediol. With a topological polar surface area (TPSA) of 53.6 Ų, 1-(2-Furyl)-3-methyl-1,2-butanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Furyl)-3-methyl-1,2-butanediol has 2 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-(2-Furyl)-3-methyl-1,2-butanediol?
The CAS number of 1-(2-Furyl)-3-methyl-1,2-butanediol is 21221-66-9.
What is the molecular formula of 1-(2-Furyl)-3-methyl-1,2-butanediol?
The molecular formula of 1-(2-Furyl)-3-methyl-1,2-butanediol is C9H14O3.
What is the molecular weight of 1-(2-Furyl)-3-methyl-1,2-butanediol?
The molecular weight of 1-(2-Furyl)-3-methyl-1,2-butanediol is 170.09 g/mol.
Where can I buy 1-(2-Furyl)-3-methyl-1,2-butanediol?
You can request a quote for 1-(2-Furyl)-3-methyl-1,2-butanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Furyl)-3-methyl-1,2-butanediol?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Furyl)-3-methyl-1,2-butanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.