methyl 4-(cyclohexanecarbonyl)-1H-pyrrole-2-carboxylate
TL;DR: methyl 4-(cyclohexanecarbonyl)-1H-pyrrole-2-carboxylate (CAS 34628-36-9) is a chemical compound with molecular formula C13H17NO3 and molecular weight 235.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(cyclohexanecarbonyl)-1H-pyrrole-2-carboxylate
Also Known As: methyl 4-(cyclohexanecarbonyl)-1H-pyrrole-2-carboxylate, Bionet2_001379, methyl 4-(cyclohexylcarbonyl)-1H-pyrrole-2-carboxylate, methyl 4-cyclohexanecarbonyl-1H-pyrrole-2-carboxylate, methylcyclohexylcarbonylpyrrolecarboxylate
| Molecular Formula | C13H17NO3 |
|---|---|
| Molecular Weight | 235.12 g/mol |
| LogP | 2.5643 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.12085 |
| Heavy Atoms | 17 |
| Complexity | 416.054 |
Chemical Identifiers
| CAS Number | 34628-36-9 |
|---|---|
| SMILES | COC(=O)C1=CC(=CN1)C(=O)C2CCCCC2 |
Product Overview
methyl 4-(cyclohexanecarbonyl)-1H-pyrrole-2-carboxylate (CAS 34628-36-9), with molecular formula C13H17NO3 and molecular weight 235.12 g/mol. IUPAC: methyl 4-(cyclohexanecarbonyl)-1H-pyrrole-2-carboxylate.
Chemical Property Profile of methyl 4-(cyclohexanecarbonyl)-1H-pyrrole-2-carboxylate
Property Insights of methyl 4-(cyclohexanecarbonyl)-1H-pyrrole-2-carboxylate
The XLogP value of 2.5643 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(cyclohexanecarbonyl)-1H-pyrrole-2-carboxylate. With a topological polar surface area (TPSA) of 59.16 Ų, methyl 4-(cyclohexanecarbonyl)-1H-pyrrole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-(cyclohexanecarbonyl)-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 methyl 4-(cyclohexanecarbonyl)-1H-pyrrole-2-carboxylate?
The CAS number of methyl 4-(cyclohexanecarbonyl)-1H-pyrrole-2-carboxylate is 34628-36-9.
What is the molecular formula of methyl 4-(cyclohexanecarbonyl)-1H-pyrrole-2-carboxylate?
The molecular formula of methyl 4-(cyclohexanecarbonyl)-1H-pyrrole-2-carboxylate is C13H17NO3.
What is the molecular weight of methyl 4-(cyclohexanecarbonyl)-1H-pyrrole-2-carboxylate?
The molecular weight of methyl 4-(cyclohexanecarbonyl)-1H-pyrrole-2-carboxylate is 235.12 g/mol.
Where can I buy methyl 4-(cyclohexanecarbonyl)-1H-pyrrole-2-carboxylate?
You can request a quote for methyl 4-(cyclohexanecarbonyl)-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 methyl 4-(cyclohexanecarbonyl)-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(cyclohexanecarbonyl)-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.