3-Butene-1,2-diol, 1-(2-furyl)-3-methyl-
TL;DR: 3-Butene-1,2-diol, 1-(2-furyl)-3-methyl- (CAS 21141-71-9) is a chemical compound with molecular formula C9H12O3 and molecular weight 168.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(furan-2-yl)-3-methylbut-3-ene-1,2-diol
Also Known As: 3-Butene-1,2-diol, 1-(2-furyl)-3-methyl-, 1-(furan-2-yl)-3-methylbut-3-ene-1,2-diol, 1- -3-methyl-3-butene-1,2-diol, 1-(2-Furyl)-3-methyl-3-butene-1,2-diol, 1-(2-Furyl)-3-methyl-3-butene-1,2-diol #
| Molecular Formula | C9H12O3 |
|---|---|
| Molecular Weight | 168.08 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.07864 |
| Heavy Atoms | 12 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 21141-71-9 |
|---|---|
| SMILES | CC(=C)C(C(C1=CC=CO1)O)O |
| InChIKey | RWIUMHPJIQXCJI-UHFFFAOYSA-N |
Product Overview
3-Butene-1,2-diol, 1-(2-furyl)-3-methyl- (CAS 21141-71-9), with molecular formula C9H12O3 and molecular weight 168.08 g/mol. IUPAC: 1-(furan-2-yl)-3-methylbut-3-ene-1,2-diol.
Chemical Property Profile of 3-Butene-1,2-diol, 1-(2-furyl)-3-methyl-
Property Insights of 3-Butene-1,2-diol, 1-(2-furyl)-3-methyl-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butene-1,2-diol, 1-(2-furyl)-3-methyl-. With a topological polar surface area (TPSA) of 53.6 Ų, 3-Butene-1,2-diol, 1-(2-furyl)-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butene-1,2-diol, 1-(2-furyl)-3-methyl- 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 3-Butene-1,2-diol, 1-(2-furyl)-3-methyl-?
The CAS number of 3-Butene-1,2-diol, 1-(2-furyl)-3-methyl- is 21141-71-9.
What is the molecular formula of 3-Butene-1,2-diol, 1-(2-furyl)-3-methyl-?
The molecular formula of 3-Butene-1,2-diol, 1-(2-furyl)-3-methyl- is C9H12O3.
What is the molecular weight of 3-Butene-1,2-diol, 1-(2-furyl)-3-methyl-?
The molecular weight of 3-Butene-1,2-diol, 1-(2-furyl)-3-methyl- is 168.08 g/mol.
Where can I buy 3-Butene-1,2-diol, 1-(2-furyl)-3-methyl-?
You can request a quote for 3-Butene-1,2-diol, 1-(2-furyl)-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butene-1,2-diol, 1-(2-furyl)-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 3-Butene-1,2-diol, 1-(2-furyl)-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.