4-Bromo-2,6-dimethylphenyl 2-thiophenecarboxylate
TL;DR: 4-Bromo-2,6-dimethylphenyl 2-thiophenecarboxylate (CAS 651710-80-4) is a chemical compound with molecular formula C13H11BrO2S and molecular weight 309.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromo-2,6-dimethylphenyl) thiophene-2-carboxylate
Also Known As: 4-bromo-2,6-dimethylphenyl 2-thiophenecarboxylate, 4-bromo-2,6-dimethylphenyl thiophene-2-carboxylate, (4-bromo-2,6-dimethylphenyl) thiophene-2-carboxylate, AN-329/42235124
| Molecular Formula | C13H11BrO2S |
|---|---|
| Molecular Weight | 309.97 g/mol |
| LogP | 4.34664 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.9663 |
| Heavy Atoms | 17 |
| Complexity | 523.5471 |
Chemical Identifiers
| CAS Number | 651710-80-4 |
|---|---|
| SMILES | CC1=CC(=CC(=C1OC(=O)C2=CC=CS2)C)Br |
Product Overview
4-Bromo-2,6-dimethylphenyl 2-thiophenecarboxylate (CAS 651710-80-4), with molecular formula C13H11BrO2S and molecular weight 309.97 g/mol. IUPAC: (4-bromo-2,6-dimethylphenyl) thiophene-2-carboxylate.
Chemical Property Profile of 4-Bromo-2,6-dimethylphenyl 2-thiophenecarboxylate
Property Insights of 4-Bromo-2,6-dimethylphenyl 2-thiophenecarboxylate
The XLogP value of 4.34664 indicates that 4-Bromo-2,6-dimethylphenyl 2-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Bromo-2,6-dimethylphenyl 2-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2,6-dimethylphenyl 2-thiophenecarboxylate has 0 hydrogen bond donor(s) and 3 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 4-Bromo-2,6-dimethylphenyl 2-thiophenecarboxylate?
The CAS number of 4-Bromo-2,6-dimethylphenyl 2-thiophenecarboxylate is 651710-80-4.
What is the molecular formula of 4-Bromo-2,6-dimethylphenyl 2-thiophenecarboxylate?
The molecular formula of 4-Bromo-2,6-dimethylphenyl 2-thiophenecarboxylate is C13H11BrO2S.
What is the molecular weight of 4-Bromo-2,6-dimethylphenyl 2-thiophenecarboxylate?
The molecular weight of 4-Bromo-2,6-dimethylphenyl 2-thiophenecarboxylate is 309.97 g/mol.
Where can I buy 4-Bromo-2,6-dimethylphenyl 2-thiophenecarboxylate?
You can request a quote for 4-Bromo-2,6-dimethylphenyl 2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2,6-dimethylphenyl 2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2,6-dimethylphenyl 2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.