3-Bromo-1,2-epoxycyclohexane
TL;DR: 3-Bromo-1,2-epoxycyclohexane (CAS 84356-77-4) is a chemical compound with molecular formula C6H9BrO and molecular weight 175.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,6R)-2-bromo-7-oxabicyclo[4.1.0]heptane
Also Known As: 3-Bromo-1,2-epoxycyclohexane, NIOSH/RN7200000, B-1,2-ECH, trans-3-Bromo-1,2-epoxycyclohexane, cis-3-Bromo-1,2-epoxycyclohexane
| Molecular Formula | C6H9BrO |
|---|---|
| Molecular Weight | 175.98 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.98367 |
| Heavy Atoms | 8 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 84356-77-4 |
|---|---|
| SMILES | C1C[C@@H]2[C@@H](O2)[C@@H](C1)Br |
| InChIKey | VCXQSVOFNLPVQU-PBXRRBTRSA-N |
Product Overview
3-Bromo-1,2-epoxycyclohexane (CAS 84356-77-4), with molecular formula C6H9BrO and molecular weight 175.98 g/mol. IUPAC: (1R,2R,6R)-2-bromo-7-oxabicyclo[4.1.0]heptane.
Chemical Property Profile of 3-Bromo-1,2-epoxycyclohexane
Property Insights of 3-Bromo-1,2-epoxycyclohexane
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-1,2-epoxycyclohexane. With a topological polar surface area (TPSA) of 12.5 Ų, 3-Bromo-1,2-epoxycyclohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-1,2-epoxycyclohexane 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-Bromo-1,2-epoxycyclohexane?
The CAS number of 3-Bromo-1,2-epoxycyclohexane is 84356-77-4.
What is the molecular formula of 3-Bromo-1,2-epoxycyclohexane?
The molecular formula of 3-Bromo-1,2-epoxycyclohexane is C6H9BrO.
What is the molecular weight of 3-Bromo-1,2-epoxycyclohexane?
The molecular weight of 3-Bromo-1,2-epoxycyclohexane is 175.98 g/mol.
Where can I buy 3-Bromo-1,2-epoxycyclohexane?
You can request a quote for 3-Bromo-1,2-epoxycyclohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-1,2-epoxycyclohexane?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-1,2-epoxycyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.