Methyl 4,5-dibromo-3-hydroxythiophene-2-carboxylate
TL;DR: Methyl 4,5-dibromo-3-hydroxythiophene-2-carboxylate (CAS 96232-71-2) is a chemical compound with molecular formula C6H4Br2O3S and molecular weight 313.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,5-dibromo-3-hydroxythiophene-2-carboxylate
Also Known As: methyl 4,5-dibromo-3-hydroxythiophene-2-carboxylate, Maybridge1_003706, Methyl4,5-Dibromo-3-Hydroxythiophene-2-Carboxylate, methyl 4,5-dibromo-3-hydroxy-thiophene-2-carboxylate, 4,5-Dibromo-3-hydroxythiophene-2-carboxylic acid methyl ester
| Molecular Formula | C6H4Br2O3S |
|---|---|
| Molecular Weight | 313.82 g/mol |
| LogP | 2.7653 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 313.8248 |
| Heavy Atoms | 12 |
| Complexity | 320.83826 |
Chemical Identifiers
| CAS Number | 96232-71-2 |
|---|---|
| SMILES | COC(=O)C1=C(C(=C(S1)Br)Br)O |
Product Overview
Methyl 4,5-dibromo-3-hydroxythiophene-2-carboxylate (CAS 96232-71-2), with molecular formula C6H4Br2O3S and molecular weight 313.82 g/mol. IUPAC: methyl 4,5-dibromo-3-hydroxythiophene-2-carboxylate.
Chemical Property Profile of Methyl 4,5-dibromo-3-hydroxythiophene-2-carboxylate
Property Insights of Methyl 4,5-dibromo-3-hydroxythiophene-2-carboxylate
The XLogP value of 2.7653 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4,5-dibromo-3-hydroxythiophene-2-carboxylate. With a topological polar surface area (TPSA) of 46.53 Ų, Methyl 4,5-dibromo-3-hydroxythiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4,5-dibromo-3-hydroxythiophene-2-carboxylate has 1 hydrogen bond donor(s) and 4 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 Methyl 4,5-dibromo-3-hydroxythiophene-2-carboxylate?
The CAS number of Methyl 4,5-dibromo-3-hydroxythiophene-2-carboxylate is 96232-71-2.
What is the molecular formula of Methyl 4,5-dibromo-3-hydroxythiophene-2-carboxylate?
The molecular formula of Methyl 4,5-dibromo-3-hydroxythiophene-2-carboxylate is C6H4Br2O3S.
What is the molecular weight of Methyl 4,5-dibromo-3-hydroxythiophene-2-carboxylate?
The molecular weight of Methyl 4,5-dibromo-3-hydroxythiophene-2-carboxylate is 313.82 g/mol.
Where can I buy Methyl 4,5-dibromo-3-hydroxythiophene-2-carboxylate?
You can request a quote for Methyl 4,5-dibromo-3-hydroxythiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4,5-dibromo-3-hydroxythiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4,5-dibromo-3-hydroxythiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.