5-Bromo-2-methoxybenzyl 2-thiophenecarboxylate
TL;DR: 5-Bromo-2-methoxybenzyl 2-thiophenecarboxylate (CAS 329079-19-8) is a chemical compound with molecular formula C13H11BrO3S and molecular weight 325.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-bromo-2-methoxyphenyl)methyl thiophene-2-carboxylate
Also Known As: 5-bromo-2-methoxybenzyl 2-thiophenecarboxylate, (5-bromo-2-methoxyphenyl)methyl thiophene-2-carboxylate, AA-768/31451041, (5-bromo-2-methoxyphenyl)methylthiophene-2-carboxylate, (5-bromo-2-methoxy-phenyl)methyl thiophene-2-carboxylate
| Molecular Formula | C13H11BrO3S |
|---|---|
| Molecular Weight | 325.96 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 63.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.96124 |
| Heavy Atoms | 18 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 329079-19-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)COC(=O)C2=CC=CS2 |
| InChIKey | TYOHOPFYJPIICI-UHFFFAOYSA-N |
Product Overview
5-Bromo-2-methoxybenzyl 2-thiophenecarboxylate (CAS 329079-19-8), with molecular formula C13H11BrO3S and molecular weight 325.96 g/mol. IUPAC: (5-bromo-2-methoxyphenyl)methyl thiophene-2-carboxylate.
Chemical Property Profile of 5-Bromo-2-methoxybenzyl 2-thiophenecarboxylate
Property Insights of 5-Bromo-2-methoxybenzyl 2-thiophenecarboxylate
The XLogP value of 3.9 indicates that 5-Bromo-2-methoxybenzyl 2-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-2-methoxybenzyl 2-thiophenecarboxylate. Following Lipinski's Rule of Five, 5-Bromo-2-methoxybenzyl 2-thiophenecarboxylate 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 5-Bromo-2-methoxybenzyl 2-thiophenecarboxylate?
The CAS number of 5-Bromo-2-methoxybenzyl 2-thiophenecarboxylate is 329079-19-8.
What is the molecular formula of 5-Bromo-2-methoxybenzyl 2-thiophenecarboxylate?
The molecular formula of 5-Bromo-2-methoxybenzyl 2-thiophenecarboxylate is C13H11BrO3S.
What is the molecular weight of 5-Bromo-2-methoxybenzyl 2-thiophenecarboxylate?
The molecular weight of 5-Bromo-2-methoxybenzyl 2-thiophenecarboxylate is 325.96 g/mol.
Where can I buy 5-Bromo-2-methoxybenzyl 2-thiophenecarboxylate?
You can request a quote for 5-Bromo-2-methoxybenzyl 2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-2-methoxybenzyl 2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2-methoxybenzyl 2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.