ethyl 4-bromo-3-methyl-1H-pyrrole-2-carboxylate
TL;DR: ethyl 4-bromo-3-methyl-1H-pyrrole-2-carboxylate (CAS 89909-42-2) is a chemical compound with molecular formula C8H10BrNO2 and molecular weight 230.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-bromo-3-methyl-1H-pyrrole-2-carboxylate
Also Known As: ethyl 4-bromo-3-methyl-1H-pyrrole-2-carboxylate, J3.115.962H, ethyl4-bromo-3-methyl-1H-pyrrole-2-carboxylate, 1H-PYRROLE-2-CARBOXYLICACID, 4-BROMO-3-METHYL-, ETHYL ESTER, 3-Methyl-4-bromo-1H-pyrrole-2-carboxylic acid ethyl ester
| Molecular Formula | C8H10BrNO2 |
|---|---|
| Molecular Weight | 230.99 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.98949 |
| Heavy Atoms | 12 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 89909-42-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=CN1)Br)C |
| InChIKey | GKSXYQPYJABCHK-UHFFFAOYSA-N |
Product Overview
ethyl 4-bromo-3-methyl-1H-pyrrole-2-carboxylate (CAS 89909-42-2), with molecular formula C8H10BrNO2 and molecular weight 230.99 g/mol. IUPAC: ethyl 4-bromo-3-methyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of ethyl 4-bromo-3-methyl-1H-pyrrole-2-carboxylate
Property Insights of ethyl 4-bromo-3-methyl-1H-pyrrole-2-carboxylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-bromo-3-methyl-1H-pyrrole-2-carboxylate. With a topological polar surface area (TPSA) of 42.1 Ų, ethyl 4-bromo-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-3-methyl-1H-pyrrole-2-carboxylate has 1 hydrogen bond donor(s) and 2 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-3-methyl-1H-pyrrole-2-carboxylate?
The CAS number of ethyl 4-bromo-3-methyl-1H-pyrrole-2-carboxylate is 89909-42-2.
What is the molecular formula of ethyl 4-bromo-3-methyl-1H-pyrrole-2-carboxylate?
The molecular formula of ethyl 4-bromo-3-methyl-1H-pyrrole-2-carboxylate is C8H10BrNO2.
What is the molecular weight of ethyl 4-bromo-3-methyl-1H-pyrrole-2-carboxylate?
The molecular weight of ethyl 4-bromo-3-methyl-1H-pyrrole-2-carboxylate is 230.99 g/mol.
Where can I buy ethyl 4-bromo-3-methyl-1H-pyrrole-2-carboxylate?
You can request a quote for ethyl 4-bromo-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-3-methyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-bromo-3-methyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.