Ethyl 4-bromo-5-formyl-3-methyl-1H-pyrrole-2-carboxylate
TL;DR: Ethyl 4-bromo-5-formyl-3-methyl-1H-pyrrole-2-carboxylate (CAS 423744-31-4) is a chemical compound with molecular formula C9H10BrNO3 and molecular weight 258.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-bromo-5-formyl-3-methyl-1H-pyrrole-2-carboxylate
Also Known As: Ethyl 4-bromo-5-formyl-3-methyl-1H-pyrrole-2-carboxylate, Ethyl 4-bromo-5-formyl-3-methyl-1H-pyrrole-2-carboxylate #, Pyrrole-2-carboxylic acid, 4-bromo-5-formyl-3-methyl-, ethyl ester
| Molecular Formula | C9H10BrNO3 |
|---|---|
| Molecular Weight | 258.98 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 59.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.9844 |
| Heavy Atoms | 14 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 423744-31-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(N1)C=O)Br)C |
| InChIKey | FMKWSDWVCMTYSW-UHFFFAOYSA-N |
Product Overview
Ethyl 4-bromo-5-formyl-3-methyl-1H-pyrrole-2-carboxylate (CAS 423744-31-4), with molecular formula C9H10BrNO3 and molecular weight 258.98 g/mol. IUPAC: ethyl 4-bromo-5-formyl-3-methyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of Ethyl 4-bromo-5-formyl-3-methyl-1H-pyrrole-2-carboxylate
Property Insights of Ethyl 4-bromo-5-formyl-3-methyl-1H-pyrrole-2-carboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-bromo-5-formyl-3-methyl-1H-pyrrole-2-carboxylate. With a topological polar surface area (TPSA) of 59.2 Ų, Ethyl 4-bromo-5-formyl-3-methyl-1H-pyrrole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-bromo-5-formyl-3-methyl-1H-pyrrole-2-carboxylate has 1 hydrogen bond donor(s) and 3 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 Ethyl 4-bromo-5-formyl-3-methyl-1H-pyrrole-2-carboxylate?
The CAS number of Ethyl 4-bromo-5-formyl-3-methyl-1H-pyrrole-2-carboxylate is 423744-31-4.
What is the molecular formula of Ethyl 4-bromo-5-formyl-3-methyl-1H-pyrrole-2-carboxylate?
The molecular formula of Ethyl 4-bromo-5-formyl-3-methyl-1H-pyrrole-2-carboxylate is C9H10BrNO3.
What is the molecular weight of Ethyl 4-bromo-5-formyl-3-methyl-1H-pyrrole-2-carboxylate?
The molecular weight of Ethyl 4-bromo-5-formyl-3-methyl-1H-pyrrole-2-carboxylate is 258.98 g/mol.
Where can I buy Ethyl 4-bromo-5-formyl-3-methyl-1H-pyrrole-2-carboxylate?
You can request a quote for Ethyl 4-bromo-5-formyl-3-methyl-1H-pyrrole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-bromo-5-formyl-3-methyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-bromo-5-formyl-3-methyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.