Methyl 4-bromo-3-methoxythiophene-2-carboxylate
TL;DR: Methyl 4-bromo-3-methoxythiophene-2-carboxylate (CAS 110545-67-0) is a chemical compound with molecular formula C7H7BrO3S and molecular weight 249.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-bromo-3-methoxythiophene-2-carboxylate
Also Known As: methyl 4-bromo-3-methoxythiophene-2-carboxylate, Maybridge1_003930, Methyl 4-bromo-3-(methyloxy)-2-thiophenecarboxylate, Methyl 4-bromo-3-methoxy-2-thiophenecarboxylate, 2-Thiophenecarboxylicacid, 4-bromo-3-methoxy-, methyl ester
| Molecular Formula | C7H7BrO3S |
|---|---|
| Molecular Weight | 249.93 g/mol |
| LogP | 2.3058 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.92993 |
| Heavy Atoms | 12 |
| Complexity | 294.84164 |
Chemical Identifiers
| CAS Number | 110545-67-0 |
|---|---|
| SMILES | COC1=C(SC=C1Br)C(=O)OC |
Product Overview
Methyl 4-bromo-3-methoxythiophene-2-carboxylate (CAS 110545-67-0), with molecular formula C7H7BrO3S and molecular weight 249.93 g/mol. IUPAC: methyl 4-bromo-3-methoxythiophene-2-carboxylate.
Chemical Property Profile of Methyl 4-bromo-3-methoxythiophene-2-carboxylate
Property Insights of Methyl 4-bromo-3-methoxythiophene-2-carboxylate
The XLogP value of 2.3058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-bromo-3-methoxythiophene-2-carboxylate. With a topological polar surface area (TPSA) of 35.53 Ų, Methyl 4-bromo-3-methoxythiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-bromo-3-methoxythiophene-2-carboxylate has 0 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-bromo-3-methoxythiophene-2-carboxylate?
The CAS number of Methyl 4-bromo-3-methoxythiophene-2-carboxylate is 110545-67-0.
What is the molecular formula of Methyl 4-bromo-3-methoxythiophene-2-carboxylate?
The molecular formula of Methyl 4-bromo-3-methoxythiophene-2-carboxylate is C7H7BrO3S.
What is the molecular weight of Methyl 4-bromo-3-methoxythiophene-2-carboxylate?
The molecular weight of Methyl 4-bromo-3-methoxythiophene-2-carboxylate is 249.93 g/mol.
Where can I buy Methyl 4-bromo-3-methoxythiophene-2-carboxylate?
You can request a quote for Methyl 4-bromo-3-methoxythiophene-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-bromo-3-methoxythiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-bromo-3-methoxythiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.