Isopentyldiol
TL;DR: Isopentyldiol (CAS 31108-57-3) is a chemical compound with molecular formula C5H12O2 and molecular weight 104.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutane-1,3-diol
Also Known As: 3-methylbutane-1,3-diol, 3-Methyl-1,3-butanediol, Isopentyldiol, isoprene glycol, 1,3-Butanediol, 3-methyl-
| Molecular Formula | C5H12O2 |
|---|---|
| Molecular Weight | 104.08 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 104.08373 |
| Heavy Atoms | 7 |
| Complexity | 50.0 |
Chemical Identifiers
| CAS Number | 31108-57-3 |
|---|---|
| SMILES | CC(C)(CCO)O |
| InChIKey | XPFCZYUVICHKDS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopentyldiol (CAS 31108-57-3), with molecular formula C5H12O2 and molecular weight 104.08 g/mol. IUPAC: 3-methylbutane-1,3-diol.
Chemical Property Profile of Isopentyldiol
Property Insights of Isopentyldiol
The XLogP value of -0.2 indicates that Isopentyldiol 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, Isopentyldiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopentyldiol 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 Isopentyldiol?
The CAS number of Isopentyldiol is 31108-57-3.
What is the molecular formula of Isopentyldiol?
The molecular formula of Isopentyldiol is C5H12O2.
What is the molecular weight of Isopentyldiol?
The molecular weight of Isopentyldiol is 104.08 g/mol.
Where can I buy Isopentyldiol?
You can request a quote for Isopentyldiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopentyldiol?
Yes, KEHONG BIO provides custom synthesis services for Isopentyldiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.