cis-Cyclohexa-1,4-diene oxide dibromide
TL;DR: cis-Cyclohexa-1,4-diene oxide dibromide (CAS 39573-55-2) is a chemical compound with molecular formula C6H6Br2O and molecular weight 251.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,5R,6R)-2,5-dibromo-7-oxabicyclo[4.1.0]hept-3-ene
Also Known As: cis-Cyclohexa-1,4-diene oxide dibromide, GURHZMLRKGTKKO-GUCUJZIJSA-, cis-2,5-Dibromo-7-oxabicyclo(4.1.0)hept-3-ene, (1r,2r,5s,6s)-2,5-dibromo-7-oxabicyclo[4.1.0]hept-3-ene, 5-17-01-00351 (Beilstein Handbook Reference)
| Molecular Formula | C6H6Br2O |
|---|---|
| Molecular Weight | 251.88 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 251.87854 |
| Heavy Atoms | 9 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 39573-55-2 |
|---|---|
| SMILES | C1=C[C@@H]([C@@H]2[C@H]([C@@H]1Br)O2)Br |
| InChIKey | GURHZMLRKGTKKO-GUCUJZIJSA-N |
Product Overview
cis-Cyclohexa-1,4-diene oxide dibromide (CAS 39573-55-2), with molecular formula C6H6Br2O and molecular weight 251.88 g/mol. IUPAC: (1S,2S,5R,6R)-2,5-dibromo-7-oxabicyclo[4.1.0]hept-3-ene.
Chemical Property Profile of cis-Cyclohexa-1,4-diene oxide dibromide
Property Insights of cis-Cyclohexa-1,4-diene oxide dibromide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-Cyclohexa-1,4-diene oxide dibromide. With a topological polar surface area (TPSA) of 12.5 Ų, cis-Cyclohexa-1,4-diene oxide dibromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-Cyclohexa-1,4-diene oxide dibromide 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 cis-Cyclohexa-1,4-diene oxide dibromide?
The CAS number of cis-Cyclohexa-1,4-diene oxide dibromide is 39573-55-2.
What is the molecular formula of cis-Cyclohexa-1,4-diene oxide dibromide?
The molecular formula of cis-Cyclohexa-1,4-diene oxide dibromide is C6H6Br2O.
What is the molecular weight of cis-Cyclohexa-1,4-diene oxide dibromide?
The molecular weight of cis-Cyclohexa-1,4-diene oxide dibromide is 251.88 g/mol.
Where can I buy cis-Cyclohexa-1,4-diene oxide dibromide?
You can request a quote for cis-Cyclohexa-1,4-diene oxide dibromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-Cyclohexa-1,4-diene oxide dibromide?
Yes, KEHONG BIO provides custom synthesis services for cis-Cyclohexa-1,4-diene oxide dibromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.