6,6-dibromo-3,3-dimethyl-4,4,7-trioxo-4
TL;DR: 6,6-dibromo-3,3-dimethyl-4,4,7-trioxo-4 (CAS 1214851-96-3) is a chemical compound with molecular formula C8H8Br2NO5S- and molecular weight 387.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,6-dibromo-3,3-dimethyl-4,4,7-trioxo-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Also Known As: 6,6-dibromo-3,3-dimethyl-4,4,7-trioxo-4, 6,6-dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide, 6,6-dibromo-3,3-dimethyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
| Molecular Formula | C8H8Br2NO5S- |
|---|---|
| Molecular Weight | 387.85 g/mol |
| LogP | -1.0337 |
| Topological Polar Surface Area | 94.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 387.849 |
| Heavy Atoms | 17 |
| Complexity | 526.0336 |
Chemical Identifiers
| CAS Number | 1214851-96-3 |
|---|---|
| SMILES | CC1(C(N2C(S1(=O)=O)C(C2=O)(Br)Br)C(=O)[O-])C |
Product Overview
6,6-dibromo-3,3-dimethyl-4,4,7-trioxo-4 (CAS 1214851-96-3), with molecular formula C8H8Br2NO5S- and molecular weight 387.85 g/mol. IUPAC: 6,6-dibromo-3,3-dimethyl-4,4,7-trioxo-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate.
Chemical Property Profile of 6,6-dibromo-3,3-dimethyl-4,4,7-trioxo-4
Property Insights of 6,6-dibromo-3,3-dimethyl-4,4,7-trioxo-4
The XLogP value of -1.0337 indicates that 6,6-dibromo-3,3-dimethyl-4,4,7-trioxo-4 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,6-dibromo-3,3-dimethyl-4,4,7-trioxo-4. Following Lipinski's Rule of Five, 6,6-dibromo-3,3-dimethyl-4,4,7-trioxo-4 has 0 hydrogen bond donor(s) and 5 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 6,6-dibromo-3,3-dimethyl-4,4,7-trioxo-4?
The CAS number of 6,6-dibromo-3,3-dimethyl-4,4,7-trioxo-4 is 1214851-96-3.
What is the molecular formula of 6,6-dibromo-3,3-dimethyl-4,4,7-trioxo-4?
The molecular formula of 6,6-dibromo-3,3-dimethyl-4,4,7-trioxo-4 is C8H8Br2NO5S-.
What is the molecular weight of 6,6-dibromo-3,3-dimethyl-4,4,7-trioxo-4?
The molecular weight of 6,6-dibromo-3,3-dimethyl-4,4,7-trioxo-4 is 387.85 g/mol.
Where can I buy 6,6-dibromo-3,3-dimethyl-4,4,7-trioxo-4?
You can request a quote for 6,6-dibromo-3,3-dimethyl-4,4,7-trioxo-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,6-dibromo-3,3-dimethyl-4,4,7-trioxo-4?
Yes, KEHONG BIO provides custom synthesis services for 6,6-dibromo-3,3-dimethyl-4,4,7-trioxo-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.