3-Chlorooxane
TL;DR: 3-Chlorooxane (CAS 6581-54-0) is a chemical compound with molecular formula C5H9ClO and molecular weight 120.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chlorooxane
Also Known As: 3-chlorooxane, 3-chlorotetrahydro-2h-pyran, 3-chlorotetrahydropyran, 3-Chloro-tetrahydropyran, Tetrahydropyrane, 3-chloro
| Molecular Formula | C5H9ClO |
|---|---|
| Molecular Weight | 120.03 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 120.034195 |
| Heavy Atoms | 7 |
| Complexity | 56.0 |
Chemical Identifiers
| CAS Number | 6581-54-0 |
|---|---|
| SMILES | C1CC(COC1)Cl |
| InChIKey | GABNFOSTPFAECR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chlorooxane (CAS 6581-54-0), with molecular formula C5H9ClO and molecular weight 120.03 g/mol. IUPAC: 3-chlorooxane.
Chemical Property Profile of 3-Chlorooxane
Property Insights of 3-Chlorooxane
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chlorooxane. With a topological polar surface area (TPSA) of 9.2 Ų, 3-Chlorooxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chlorooxane has 0 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-Chlorooxane?
The CAS number of 3-Chlorooxane is 6581-54-0.
What is the molecular formula of 3-Chlorooxane?
The molecular formula of 3-Chlorooxane is C5H9ClO.
What is the molecular weight of 3-Chlorooxane?
The molecular weight of 3-Chlorooxane is 120.03 g/mol.
Where can I buy 3-Chlorooxane?
You can request a quote for 3-Chlorooxane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chlorooxane?
Yes, KEHONG BIO provides custom synthesis services for 3-Chlorooxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.