3-Methyl-1,5-pentanediol
TL;DR: 3-Methyl-1,5-pentanediol (CAS 4457-71-0) is a chemical compound with molecular formula C6H14O2 and molecular weight 118.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylpentane-1,5-diol
Also Known As: 3-Methyl-1,5-pentanediol, 3-METHYLPENTANE-1,5-DIOL, 1,5-Pentanediol, 3-methyl-, null, 1,5-Dihydroxy-3-methylpentane
| Molecular Formula | C6H14O2 |
|---|---|
| Molecular Weight | 118.10 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 118.09938 |
| Heavy Atoms | 8 |
| Complexity | 39.0 |
Chemical Identifiers
| CAS Number | 4457-71-0 |
|---|---|
| SMILES | CC(CCO)CCO |
| InChIKey | SXFJDZNJHVPHPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-1,5-pentanediol (CAS 4457-71-0), with molecular formula C6H14O2 and molecular weight 118.10 g/mol. IUPAC: 3-methylpentane-1,5-diol.
Chemical Property Profile of 3-Methyl-1,5-pentanediol
Property Insights of 3-Methyl-1,5-pentanediol
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1,5-pentanediol. With a topological polar surface area (TPSA) of 40.5 Ų, 3-Methyl-1,5-pentanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-1,5-pentanediol 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 3-Methyl-1,5-pentanediol?
The CAS number of 3-Methyl-1,5-pentanediol is 4457-71-0.
What is the molecular formula of 3-Methyl-1,5-pentanediol?
The molecular formula of 3-Methyl-1,5-pentanediol is C6H14O2.
What is the molecular weight of 3-Methyl-1,5-pentanediol?
The molecular weight of 3-Methyl-1,5-pentanediol is 118.10 g/mol.
Where can I buy 3-Methyl-1,5-pentanediol?
You can request a quote for 3-Methyl-1,5-pentanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-1,5-pentanediol?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1,5-pentanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.