Oxetane, 3,3-bis(chloromethyl)-
TL;DR: Oxetane, 3,3-bis(chloromethyl)- (CAS 78-71-7) is a chemical compound with molecular formula C5H8Cl2O and molecular weight 154.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-bis(chloromethyl)oxetane
Also Known As: 3,3-Bis(chloromethyl)oxetane, Bcmo, Penton, 3,3-Dichloromethyloxycyclobutane, OXETANE, 3,3-BIS(CHLOROMETHYL)-
| Molecular Formula | C5H8Cl2O |
|---|---|
| Molecular Weight | 154.00 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 153.99522 |
| Heavy Atoms | 8 |
| Complexity | 74.0 |
| Melting Point | 18.9 °C |
| Boiling Point | 102.8 °C at 30 mmHg |
| Density | 1.4 |
| Vapor Pressure | 0.5 [mm Hg] @25 °C |
Chemical Identifiers
| CAS Number | 78-71-7 |
|---|---|
| SMILES | C1C(CO1)(CCl)CCl |
| InChIKey | CXURGFRDGROIKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Oxetane, 3,3-bis(chloromethyl)- (CAS 78-71-7), with molecular formula C5H8Cl2O and molecular weight 154.00 g/mol. IUPAC: 3,3-bis(chloromethyl)oxetane.
Chemical Property Profile of Oxetane, 3,3-bis(chloromethyl)-
Property Insights of Oxetane, 3,3-bis(chloromethyl)-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxetane, 3,3-bis(chloromethyl)-. With a topological polar surface area (TPSA) of 9.2 Ų, Oxetane, 3,3-bis(chloromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oxetane, 3,3-bis(chloromethyl)- 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 Oxetane, 3,3-bis(chloromethyl)-?
The CAS number of Oxetane, 3,3-bis(chloromethyl)- is 78-71-7.
What is the molecular formula of Oxetane, 3,3-bis(chloromethyl)-?
The molecular formula of Oxetane, 3,3-bis(chloromethyl)- is C5H8Cl2O.
What is the molecular weight of Oxetane, 3,3-bis(chloromethyl)-?
The molecular weight of Oxetane, 3,3-bis(chloromethyl)- is 154.00 g/mol.
Where can I buy Oxetane, 3,3-bis(chloromethyl)-?
You can request a quote for Oxetane, 3,3-bis(chloromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxetane, 3,3-bis(chloromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Oxetane, 3,3-bis(chloromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.