2,4-Dimethyl 5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate
TL;DR: 2,4-Dimethyl 5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate (CAS 749902-86-1) is a chemical compound with molecular formula C9H10BrNO4S and molecular weight 306.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate
Also Known As: 2,4-dimethyl 5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate, dimethyl 5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate, 5-Amino-3-bromomethyl-thiophene-2,4-dicarboxylic acid dimethyl ester, 2,4-Dimethyl 5-amino-3-(bromomethyl)-2,4-thiophenedicarboxylate, 2,4-dimethyl5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate
| Molecular Formula | C9H10BrNO4S |
|---|---|
| Molecular Weight | 306.95 g/mol |
| LogP | 1.7984 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.9514 |
| Heavy Atoms | 16 |
| Complexity | 429.38864 |
Chemical Identifiers
| CAS Number | 749902-86-1 |
|---|---|
| SMILES | COC(=O)C1=C(SC(=C1CBr)C(=O)OC)N |
Product Overview
2,4-Dimethyl 5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate (CAS 749902-86-1), with molecular formula C9H10BrNO4S and molecular weight 306.95 g/mol. IUPAC: dimethyl 5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate.
Chemical Property Profile of 2,4-Dimethyl 5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate
Property Insights of 2,4-Dimethyl 5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate
The XLogP value of 1.7984 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dimethyl 5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate. The TPSA of 78.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dimethyl 5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, 2,4-Dimethyl 5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate has 1 hydrogen bond donor(s) and 6 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 2,4-Dimethyl 5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate?
The CAS number of 2,4-Dimethyl 5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate is 749902-86-1.
What is the molecular formula of 2,4-Dimethyl 5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate?
The molecular formula of 2,4-Dimethyl 5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate is C9H10BrNO4S.
What is the molecular weight of 2,4-Dimethyl 5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate?
The molecular weight of 2,4-Dimethyl 5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate is 306.95 g/mol.
Where can I buy 2,4-Dimethyl 5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate?
You can request a quote for 2,4-Dimethyl 5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dimethyl 5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dimethyl 5-amino-3-(bromomethyl)thiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.