methyl 4-formyl-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
TL;DR: methyl 4-formyl-1,2,5-trimethyl-1H-pyrrole-3-carboxylate (CAS 175276-50-3) is a chemical compound with molecular formula C10H13NO3 and molecular weight 195.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-formyl-1,2,5-trimethylpyrrole-3-carboxylate
Also Known As: METHYL 4-FORMYL-1,2,5-TRIMETHYL-1H-PYRROLE-3-CARBOXYLATE, methyl 4-formyl-1,2,5-trimethylpyrrole-3-carboxylate, 1,2,5-trimethyl-1H-pyrrole-3-carboxylic acid, 1H-Pyrrole-3-carboxylic acid, 4-formyl-1,2,5-trimethyl-, methyl ester, 1H-Pyrrole-3-carboxylicacid, 4-formyl-1,2,5-trimethyl-, methyl ester
| Molecular Formula | C10H13NO3 |
|---|---|
| Molecular Weight | 195.09 g/mol |
| LogP | 1.24104 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.08954 |
| Heavy Atoms | 14 |
| Complexity | 390.56165 |
Chemical Identifiers
| CAS Number | 175276-50-3 |
|---|---|
| SMILES | CC1=C(C(=C(N1C)C)C(=O)OC)C=O |
Product Overview
methyl 4-formyl-1,2,5-trimethyl-1H-pyrrole-3-carboxylate (CAS 175276-50-3), with molecular formula C10H13NO3 and molecular weight 195.09 g/mol. IUPAC: methyl 4-formyl-1,2,5-trimethylpyrrole-3-carboxylate.
Chemical Property Profile of methyl 4-formyl-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
Property Insights of methyl 4-formyl-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
The XLogP value of 1.24104 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-formyl-1,2,5-trimethyl-1H-pyrrole-3-carboxylate. With a topological polar surface area (TPSA) of 48.3 Ų, methyl 4-formyl-1,2,5-trimethyl-1H-pyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-formyl-1,2,5-trimethyl-1H-pyrrole-3-carboxylate has 0 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 methyl 4-formyl-1,2,5-trimethyl-1H-pyrrole-3-carboxylate?
The CAS number of methyl 4-formyl-1,2,5-trimethyl-1H-pyrrole-3-carboxylate is 175276-50-3.
What is the molecular formula of methyl 4-formyl-1,2,5-trimethyl-1H-pyrrole-3-carboxylate?
The molecular formula of methyl 4-formyl-1,2,5-trimethyl-1H-pyrrole-3-carboxylate is C10H13NO3.
What is the molecular weight of methyl 4-formyl-1,2,5-trimethyl-1H-pyrrole-3-carboxylate?
The molecular weight of methyl 4-formyl-1,2,5-trimethyl-1H-pyrrole-3-carboxylate is 195.09 g/mol.
Where can I buy methyl 4-formyl-1,2,5-trimethyl-1H-pyrrole-3-carboxylate?
You can request a quote for methyl 4-formyl-1,2,5-trimethyl-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-formyl-1,2,5-trimethyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-formyl-1,2,5-trimethyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.