methyl 3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate
TL;DR: methyl 3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate (CAS 846579-00-8) is a chemical compound with molecular formula C14H12N2O2 and molecular weight 240.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-pyrrol-1-yl-1H-indole-2-carboxylate
Also Known As: ZERO/005870, methyl 3-pyrrolylindole-2-carboxylate, methyl 3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate, methyl 3-pyrrol-1-yl-1H-indole-2-carboxylate, methyl 3-(1{H}-pyrrol-1-yl)-1{H}-indole-2-carboxylate
| Molecular Formula | C14H12N2O2 |
|---|---|
| Molecular Weight | 240.09 g/mol |
| LogP | 2.7452 |
| Topological Polar Surface Area | 47.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.08987 |
| Heavy Atoms | 18 |
| Complexity | 695.7386 |
Chemical Identifiers
| CAS Number | 846579-00-8 |
|---|---|
| SMILES | COC(=O)C1=C(C2=CC=CC=C2N1)N3C=CC=C3 |
Product Overview
methyl 3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate (CAS 846579-00-8), with molecular formula C14H12N2O2 and molecular weight 240.09 g/mol. IUPAC: methyl 3-pyrrol-1-yl-1H-indole-2-carboxylate.
Chemical Property Profile of methyl 3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate
Property Insights of methyl 3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate
The XLogP value of 2.7452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate. With a topological polar surface area (TPSA) of 47.02 Ų, methyl 3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 3-(1H-pyrrol-1-yl)-1H-indole-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 methyl 3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate?
The CAS number of methyl 3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate is 846579-00-8.
What is the molecular formula of methyl 3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate?
The molecular formula of methyl 3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate is C14H12N2O2.
What is the molecular weight of methyl 3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate?
The molecular weight of methyl 3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate is 240.09 g/mol.
Where can I buy methyl 3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate?
You can request a quote for methyl 3-(1H-pyrrol-1-yl)-1H-indole-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 3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(1H-pyrrol-1-yl)-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.