methyl 4-bromo-2,5-dimethyl-1H-pyrrole-3-carboxylate
TL;DR: methyl 4-bromo-2,5-dimethyl-1H-pyrrole-3-carboxylate (CAS 120935-94-6) 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.
methyl 4-bromo-2,5-dimethyl-1H-pyrrole-3-carboxylate
Also Known As: methyl 4-bromo-2,5-dimethyl-1H-pyrrole-3-carboxylate, ethyl 1-methyl-1h-imidazole-2-carboxylate, 4CH-016728, I14-34858, 1H-Pyrrole-3-carboxylicacid, 4-bromo-2,5-dimethyl-, methyl ester
| Molecular Formula | C8H10BrNO2 |
|---|---|
| Molecular Weight | 230.99 g/mol |
| LogP | 2.18064 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.98949 |
| Heavy Atoms | 12 |
| Complexity | 317.1029 |
Chemical Identifiers
| CAS Number | 120935-94-6 |
|---|---|
| SMILES | CC1=C(C(=C(N1)C)Br)C(=O)OC |
Product Overview
methyl 4-bromo-2,5-dimethyl-1H-pyrrole-3-carboxylate (CAS 120935-94-6), with molecular formula C8H10BrNO2 and molecular weight 230.99 g/mol. IUPAC: methyl 4-bromo-2,5-dimethyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of methyl 4-bromo-2,5-dimethyl-1H-pyrrole-3-carboxylate
Property Insights of methyl 4-bromo-2,5-dimethyl-1H-pyrrole-3-carboxylate
The XLogP value of 2.18064 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-bromo-2,5-dimethyl-1H-pyrrole-3-carboxylate. With a topological polar surface area (TPSA) of 42.09 Ų, methyl 4-bromo-2,5-dimethyl-1H-pyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-bromo-2,5-dimethyl-1H-pyrrole-3-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 methyl 4-bromo-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The CAS number of methyl 4-bromo-2,5-dimethyl-1H-pyrrole-3-carboxylate is 120935-94-6.
What is the molecular formula of methyl 4-bromo-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The molecular formula of methyl 4-bromo-2,5-dimethyl-1H-pyrrole-3-carboxylate is C8H10BrNO2.
What is the molecular weight of methyl 4-bromo-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The molecular weight of methyl 4-bromo-2,5-dimethyl-1H-pyrrole-3-carboxylate is 230.99 g/mol.
Where can I buy methyl 4-bromo-2,5-dimethyl-1H-pyrrole-3-carboxylate?
You can request a quote for methyl 4-bromo-2,5-dimethyl-1H-pyrrole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-bromo-2,5-dimethyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-bromo-2,5-dimethyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.