3-溴氧杂环丁烷
TL;DR: 3-溴氧杂环丁烷 (CAS 39267-79-3) is a chemical compound with molecular formula C21H30F2 and molecular weight 320.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-溴氧杂环丁烷
1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
Also Known As: 3-bromooxetane, trans,trans-4-(3,4-Difluorophenyl)-4'-propyl-1,1'-bi(cyclohexane), 3bcHdFP, 1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene, BAS 01123519
| Molecular Formula | C21H30F2 |
|---|---|
| Molecular Weight | 320.23 g/mol |
| LogP | 8.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.23157 |
| Heavy Atoms | 23 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 39267-79-3 |
|---|---|
| SMILES | CCCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C=C3)F)F |
| InChIKey | FSWZOZXLWVWJAH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-溴氧杂环丁烷 (CAS 39267-79-3), with molecular formula C21H30F2 and molecular weight 320.23 g/mol. IUPAC: 1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene.
Chemical Property Profile of 3-溴氧杂环丁烷
Property Insights of 3-溴氧杂环丁烷
The XLogP value of 8.4 indicates that 3-溴氧杂环丁烷 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-溴氧杂环丁烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-溴氧杂环丁烷 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-溴氧杂环丁烷?
The CAS number of 3-溴氧杂环丁烷 is 39267-79-3.
What is the molecular formula of 3-溴氧杂环丁烷?
The molecular formula of 3-溴氧杂环丁烷 is C21H30F2.
What is the molecular weight of 3-溴氧杂环丁烷?
The molecular weight of 3-溴氧杂环丁烷 is 320.23 g/mol.
Where can I buy 3-溴氧杂环丁烷?
You can request a quote for 3-溴氧杂环丁烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-溴氧杂环丁烷?
Yes, KEHONG BIO provides custom synthesis services for 3-溴氧杂环丁烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.