Bis(oxiranylmethyl) 3,4,5,6-tetrabromocyclohexene-1,2-dicarboxylate
TL;DR: Bis(oxiranylmethyl) 3,4,5,6-tetrabromocyclohexene-1,2-dicarboxylate (CAS 97890-19-2) is a chemical compound with molecular formula C14H14Br4O6 and molecular weight 593.75 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(oxiran-2-ylmethyl) 3,4,5,6-tetrabromocyclohexene-1,2-dicarboxylate
Also Known As: Bis(oxiranylmethyl) 3,4,5,6-tetrabromocyclohexene-1,2-dicarboxylate, bis(oxiran-2-ylmethyl) 3,4,5,6-tetrabromocyclohex-1-ene-1,2-dicarboxylate, bis(oxiran-2-ylmethyl) 3,4,5,6-tetrabromocyclohexene-1,2-dicarboxylate, 1,2-bis[(oxiran-2-yl)methyl] 3,4,5,6-tetrabromocyclohex-1-ene-1,2-dicarboxylate, 3,4,5,6-Tetrabromo-1-cyclohexene-1,2-dicarboxylic acid bis(oxiranylmethyl) ester
| Molecular Formula | C14H14Br4O6 |
|---|---|
| Molecular Weight | 593.75 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 77.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 597.7483 |
| Heavy Atoms | 24 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 97890-19-2 |
|---|---|
| SMILES | C1C(O1)COC(=O)C2=C(C(C(C(C2Br)Br)Br)Br)C(=O)OCC3CO3 |
| InChIKey | UGYFFARIZMXOAC-UHFFFAOYSA-N |
Product Overview
Bis(oxiranylmethyl) 3,4,5,6-tetrabromocyclohexene-1,2-dicarboxylate (CAS 97890-19-2), with molecular formula C14H14Br4O6 and molecular weight 593.75 g/mol. IUPAC: bis(oxiran-2-ylmethyl) 3,4,5,6-tetrabromocyclohexene-1,2-dicarboxylate.
Chemical Property Profile of Bis(oxiranylmethyl) 3,4,5,6-tetrabromocyclohexene-1,2-dicarboxylate
Property Insights of Bis(oxiranylmethyl) 3,4,5,6-tetrabromocyclohexene-1,2-dicarboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(oxiranylmethyl) 3,4,5,6-tetrabromocyclohexene-1,2-dicarboxylate. The TPSA of 77.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(oxiranylmethyl) 3,4,5,6-tetrabromocyclohexene-1,2-dicarboxylate. Following Lipinski's Rule of Five, Bis(oxiranylmethyl) 3,4,5,6-tetrabromocyclohexene-1,2-dicarboxylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis(oxiranylmethyl) 3,4,5,6-tetrabromocyclohexene-1,2-dicarboxylate?
The CAS number of Bis(oxiranylmethyl) 3,4,5,6-tetrabromocyclohexene-1,2-dicarboxylate is 97890-19-2.
What is the molecular formula of Bis(oxiranylmethyl) 3,4,5,6-tetrabromocyclohexene-1,2-dicarboxylate?
The molecular formula of Bis(oxiranylmethyl) 3,4,5,6-tetrabromocyclohexene-1,2-dicarboxylate is C14H14Br4O6.
What is the molecular weight of Bis(oxiranylmethyl) 3,4,5,6-tetrabromocyclohexene-1,2-dicarboxylate?
The molecular weight of Bis(oxiranylmethyl) 3,4,5,6-tetrabromocyclohexene-1,2-dicarboxylate is 593.75 g/mol.
Where can I buy Bis(oxiranylmethyl) 3,4,5,6-tetrabromocyclohexene-1,2-dicarboxylate?
You can request a quote for Bis(oxiranylmethyl) 3,4,5,6-tetrabromocyclohexene-1,2-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(oxiranylmethyl) 3,4,5,6-tetrabromocyclohexene-1,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Bis(oxiranylmethyl) 3,4,5,6-tetrabromocyclohexene-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.