InChI=1/C8H14Br2O2/c1-5-12-6(11)8(9,10)7(2,3)4/h5H2,1-4H
TL;DR: InChI=1/C8H14Br2O2/c1-5-12-6(11)8(9,10)7(2,3)4/h5H2,1-4H (CAS 210752-62-8) is a chemical compound with molecular formula C8H14Br2O2 and molecular weight 299.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,2-dibromo-3,3-dimethylbutanoate
Also Known As: ethyl 2,2-dibromo-3,3-dimethylbutanoate, Ethyl 2,2-dibromo-3,3-dimethyl-butanoate, J1.517.808F, 2,2-Dibromo-3,3-dimethylbutyric acid ethyl ester, 2,2-Dibromo-3,3-dimethylbutanoic acid ethyl ester
| Molecular Formula | C8H14Br2O2 |
|---|---|
| Molecular Weight | 299.94 g/mol |
| LogP | 3.0817 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.93604 |
| Heavy Atoms | 12 |
| Complexity | 170.3869 |
Chemical Identifiers
| CAS Number | 210752-62-8 |
|---|---|
| SMILES | CCOC(=O)C(C(C)(C)C)(Br)Br |
Product Overview
InChI=1/C8H14Br2O2/c1-5-12-6(11)8(9,10)7(2,3)4/h5H2,1-4H (CAS 210752-62-8), with molecular formula C8H14Br2O2 and molecular weight 299.94 g/mol. IUPAC: ethyl 2,2-dibromo-3,3-dimethylbutanoate.
Chemical Property Profile of InChI=1/C8H14Br2O2/c1-5-12-6(11)8(9,10)7(2,3)4/h5H2,1-4H
Property Insights of InChI=1/C8H14Br2O2/c1-5-12-6(11)8(9,10)7(2,3)4/h5H2,1-4H
The XLogP value of 3.0817 indicates that InChI=1/C8H14Br2O2/c1-5-12-6(11)8(9,10)7(2,3)4/h5H2,1-4H is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, InChI=1/C8H14Br2O2/c1-5-12-6(11)8(9,10)7(2,3)4/h5H2,1-4H exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, InChI=1/C8H14Br2O2/c1-5-12-6(11)8(9,10)7(2,3)4/h5H2,1-4H has 0 hydrogen bond donor(s) and 2 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 InChI=1/C8H14Br2O2/c1-5-12-6(11)8(9,10)7(2,3)4/h5H2,1-4H?
The CAS number of InChI=1/C8H14Br2O2/c1-5-12-6(11)8(9,10)7(2,3)4/h5H2,1-4H is 210752-62-8.
What is the molecular formula of InChI=1/C8H14Br2O2/c1-5-12-6(11)8(9,10)7(2,3)4/h5H2,1-4H?
The molecular formula of InChI=1/C8H14Br2O2/c1-5-12-6(11)8(9,10)7(2,3)4/h5H2,1-4H is C8H14Br2O2.
What is the molecular weight of InChI=1/C8H14Br2O2/c1-5-12-6(11)8(9,10)7(2,3)4/h5H2,1-4H?
The molecular weight of InChI=1/C8H14Br2O2/c1-5-12-6(11)8(9,10)7(2,3)4/h5H2,1-4H is 299.94 g/mol.
Where can I buy InChI=1/C8H14Br2O2/c1-5-12-6(11)8(9,10)7(2,3)4/h5H2,1-4H?
You can request a quote for InChI=1/C8H14Br2O2/c1-5-12-6(11)8(9,10)7(2,3)4/h5H2,1-4H directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for InChI=1/C8H14Br2O2/c1-5-12-6(11)8(9,10)7(2,3)4/h5H2,1-4H?
Yes, KEHONG BIO provides custom synthesis services for InChI=1/C8H14Br2O2/c1-5-12-6(11)8(9,10)7(2,3)4/h5H2,1-4H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.