(3,4-Dibromo-2-methylbutan-2-yl) propanoate
TL;DR: (3,4-Dibromo-2-methylbutan-2-yl) propanoate (CAS 6317-31-3) 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.
(3,4-dibromo-2-methylbutan-2-yl) propanoate
Also Known As: (3,4-dibromo-2-methylbutan-2-yl) propanoate, 3,4-dibromo-2-methylbutan-2-yl propanoate, 2-Butanol,3,4-dibromo-2-methyl-, 2-propanoate
| Molecular Formula | C8H14Br2O2 |
|---|---|
| Molecular Weight | 299.94 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.93604 |
| Heavy Atoms | 12 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 6317-31-3 |
|---|---|
| SMILES | CCC(=O)OC(C)(C)C(CBr)Br |
| InChIKey | WGFJNLSEESZSBU-UHFFFAOYSA-N |
Product Overview
(3,4-Dibromo-2-methylbutan-2-yl) propanoate (CAS 6317-31-3), with molecular formula C8H14Br2O2 and molecular weight 299.94 g/mol. IUPAC: (3,4-dibromo-2-methylbutan-2-yl) propanoate.
Chemical Property Profile of (3,4-Dibromo-2-methylbutan-2-yl) propanoate
Property Insights of (3,4-Dibromo-2-methylbutan-2-yl) propanoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3,4-Dibromo-2-methylbutan-2-yl) propanoate. With a topological polar surface area (TPSA) of 26.3 Ų, (3,4-Dibromo-2-methylbutan-2-yl) propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3,4-Dibromo-2-methylbutan-2-yl) propanoate 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 (3,4-Dibromo-2-methylbutan-2-yl) propanoate?
The CAS number of (3,4-Dibromo-2-methylbutan-2-yl) propanoate is 6317-31-3.
What is the molecular formula of (3,4-Dibromo-2-methylbutan-2-yl) propanoate?
The molecular formula of (3,4-Dibromo-2-methylbutan-2-yl) propanoate is C8H14Br2O2.
What is the molecular weight of (3,4-Dibromo-2-methylbutan-2-yl) propanoate?
The molecular weight of (3,4-Dibromo-2-methylbutan-2-yl) propanoate is 299.94 g/mol.
Where can I buy (3,4-Dibromo-2-methylbutan-2-yl) propanoate?
You can request a quote for (3,4-Dibromo-2-methylbutan-2-yl) propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,4-Dibromo-2-methylbutan-2-yl) propanoate?
Yes, KEHONG BIO provides custom synthesis services for (3,4-Dibromo-2-methylbutan-2-yl) propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.