4-Bromo-2-(methoxycarbonyl)phenyl 2-thiophenecarboxylate
TL;DR: 4-Bromo-2-(methoxycarbonyl)phenyl 2-thiophenecarboxylate (CAS 297150-13-1) is a chemical compound with molecular formula C13H9BrO4S and molecular weight 339.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromo-2-methoxycarbonylphenyl) thiophene-2-carboxylate
Also Known As: 4-bromo-2-(methoxycarbonyl)phenyl 2-thiophenecarboxylate, 4-bromo-2-(methoxycarbonyl)phenyl thiophene-2-carboxylate, (4-bromo-2-methoxycarbonylphenyl) thiophene-2-carboxylate, AA-768/33245050, 4-bromo-2-(methoxycarbonyl)phenylthiophene-2-carboxylate
| Molecular Formula | C13H9BrO4S |
|---|---|
| Molecular Weight | 339.94 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 80.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.9405 |
| Heavy Atoms | 19 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 297150-13-1 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)Br)OC(=O)C2=CC=CS2 |
| InChIKey | BKARZXRIGSJUAK-UHFFFAOYSA-N |
Product Overview
4-Bromo-2-(methoxycarbonyl)phenyl 2-thiophenecarboxylate (CAS 297150-13-1), with molecular formula C13H9BrO4S and molecular weight 339.94 g/mol. IUPAC: (4-bromo-2-methoxycarbonylphenyl) thiophene-2-carboxylate.
Chemical Property Profile of 4-Bromo-2-(methoxycarbonyl)phenyl 2-thiophenecarboxylate
Property Insights of 4-Bromo-2-(methoxycarbonyl)phenyl 2-thiophenecarboxylate
The XLogP value of 3.9 indicates that 4-Bromo-2-(methoxycarbonyl)phenyl 2-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromo-2-(methoxycarbonyl)phenyl 2-thiophenecarboxylate. Following Lipinski's Rule of Five, 4-Bromo-2-(methoxycarbonyl)phenyl 2-thiophenecarboxylate 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 4-Bromo-2-(methoxycarbonyl)phenyl 2-thiophenecarboxylate?
The CAS number of 4-Bromo-2-(methoxycarbonyl)phenyl 2-thiophenecarboxylate is 297150-13-1.
What is the molecular formula of 4-Bromo-2-(methoxycarbonyl)phenyl 2-thiophenecarboxylate?
The molecular formula of 4-Bromo-2-(methoxycarbonyl)phenyl 2-thiophenecarboxylate is C13H9BrO4S.
What is the molecular weight of 4-Bromo-2-(methoxycarbonyl)phenyl 2-thiophenecarboxylate?
The molecular weight of 4-Bromo-2-(methoxycarbonyl)phenyl 2-thiophenecarboxylate is 339.94 g/mol.
Where can I buy 4-Bromo-2-(methoxycarbonyl)phenyl 2-thiophenecarboxylate?
You can request a quote for 4-Bromo-2-(methoxycarbonyl)phenyl 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-(methoxycarbonyl)phenyl 2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-(methoxycarbonyl)phenyl 2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.