3-Methyl-2-propyl-1-pentanol
TL;DR: 3-Methyl-2-propyl-1-pentanol (CAS 54004-40-9) is a chemical compound with molecular formula C9H20O and molecular weight 144.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-propylpentan-1-ol
Also Known As: 3-Methyl-2-propyl-1-pentanol, 3-methyl-2-propylpentan-1-ol, 1-Pentanol, 3-methyl-2-propyl-
| Molecular Formula | C9H20O |
|---|---|
| Molecular Weight | 144.15 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 144.15141 |
| Heavy Atoms | 10 |
| Complexity | 71.0 |
Chemical Identifiers
| CAS Number | 54004-40-9 |
|---|---|
| SMILES | CCCC(CO)C(C)CC |
| InChIKey | INALYUMTAOHGHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-2-propyl-1-pentanol (CAS 54004-40-9), with molecular formula C9H20O and molecular weight 144.15 g/mol. IUPAC: 3-methyl-2-propylpentan-1-ol.
Chemical Property Profile of 3-Methyl-2-propyl-1-pentanol
Property Insights of 3-Methyl-2-propyl-1-pentanol
The XLogP value of 3.1 indicates that 3-Methyl-2-propyl-1-pentanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Methyl-2-propyl-1-pentanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-2-propyl-1-pentanol has 1 hydrogen bond donor(s) and 1 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-2-propyl-1-pentanol?
The CAS number of 3-Methyl-2-propyl-1-pentanol is 54004-40-9.
What is the molecular formula of 3-Methyl-2-propyl-1-pentanol?
The molecular formula of 3-Methyl-2-propyl-1-pentanol is C9H20O.
What is the molecular weight of 3-Methyl-2-propyl-1-pentanol?
The molecular weight of 3-Methyl-2-propyl-1-pentanol is 144.15 g/mol.
Where can I buy 3-Methyl-2-propyl-1-pentanol?
You can request a quote for 3-Methyl-2-propyl-1-pentanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2-propyl-1-pentanol?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-propyl-1-pentanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.