二溴甲基二酮
TL;DR: 二溴甲基二酮 (CAS 131406-52-5) is a chemical compound with molecular formula C4H2Br4O2 and molecular weight 397.68 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二溴甲基二酮
1,1,4,4-tetrabromobutane-2,3-dione
Also Known As: Dibromomethyl diketone, 1,1,4,4-tetrabromo-butane-2,3-dione, 1,1,4,4-tetrabromobutane-2,3-dione
| Molecular Formula | C4H2Br4O2 |
|---|---|
| Molecular Weight | 397.68 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.67883 |
| Heavy Atoms | 10 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 131406-52-5 |
|---|---|
| SMILES | C(C(=O)C(=O)C(Br)Br)(Br)Br |
| InChIKey | KWRKPHHVYJIBAG-UHFFFAOYSA-N |
Product Overview
二溴甲基二酮 (CAS 131406-52-5), with molecular formula C4H2Br4O2 and molecular weight 397.68 g/mol. IUPAC: 1,1,4,4-tetrabromobutane-2,3-dione.
Chemical Property Profile of 二溴甲基二酮
Property Insights of 二溴甲基二酮
The XLogP value of 3.0 indicates that 二溴甲基二酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 二溴甲基二酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二溴甲基二酮 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 二溴甲基二酮?
The CAS number of 二溴甲基二酮 is 131406-52-5.
What is the molecular formula of 二溴甲基二酮?
The molecular formula of 二溴甲基二酮 is C4H2Br4O2.
What is the molecular weight of 二溴甲基二酮?
The molecular weight of 二溴甲基二酮 is 397.68 g/mol.
Where can I buy 二溴甲基二酮?
You can request a quote for 二溴甲基二酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二溴甲基二酮?
Yes, KEHONG BIO provides custom synthesis services for 二溴甲基二酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.