alpha-Hexyl-gamma-butyrolactone
TL;DR: alpha-Hexyl-gamma-butyrolactone (CAS 18436-37-8) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hexyloxolan-2-one
Also Known As: alpha-Hexyl-gamma-butyrolactone, 3-hexyloxolan-2-one, alpha-Decalactone, 3-Hexyldihydrofuran-2(3H)-one, hexyldihydrofuranone
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 18436-37-8 |
|---|---|
| SMILES | CCCCCCC1CCOC1=O |
| InChIKey | IBVDLVUXSDSVQF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Hexyl-gamma-butyrolactone (CAS 18436-37-8), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: 3-hexyloxolan-2-one.
Chemical Property Profile of alpha-Hexyl-gamma-butyrolactone
Property Insights of alpha-Hexyl-gamma-butyrolactone
The XLogP value of 3.3 indicates that alpha-Hexyl-gamma-butyrolactone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, alpha-Hexyl-gamma-butyrolactone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Hexyl-gamma-butyrolactone has 0 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 alpha-Hexyl-gamma-butyrolactone?
The CAS number of alpha-Hexyl-gamma-butyrolactone is 18436-37-8.
What is the molecular formula of alpha-Hexyl-gamma-butyrolactone?
The molecular formula of alpha-Hexyl-gamma-butyrolactone is C10H18O2.
What is the molecular weight of alpha-Hexyl-gamma-butyrolactone?
The molecular weight of alpha-Hexyl-gamma-butyrolactone is 170.13 g/mol.
Where can I buy alpha-Hexyl-gamma-butyrolactone?
You can request a quote for alpha-Hexyl-gamma-butyrolactone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Hexyl-gamma-butyrolactone?
Yes, KEHONG BIO provides custom synthesis services for alpha-Hexyl-gamma-butyrolactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.