methyl 3-(1H-indol-3-yl)-2-isocyanopropanoate
TL;DR: methyl 3-(1H-indol-3-yl)-2-isocyanopropanoate (CAS 53941-27-8) is a chemical compound with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(1H-indol-3-yl)-2-isocyanopropanoate
Also Known As: methyl 3-(1H-indol-3-yl)-2-isocyanopropanoate, Methyl-2-isocyano-(indol-3-yl)-acetate, Methyl 3-(1H-indol-3-yl)-2-isocyano-propanoate, J2.769.289C, 2-Isocyano-3-(1H-indole-3-yl)propanoic acid methyl ester
| Molecular Formula | C13H12N2O2 |
|---|---|
| Molecular Weight | 228.09 g/mol |
| LogP | 2.17129 |
| Topological Polar Surface Area | 46.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.08987 |
| Heavy Atoms | 17 |
| Complexity | 580.3621 |
Chemical Identifiers
| CAS Number | 53941-27-8 |
|---|---|
| SMILES | COC(=O)C(CC1=CNC2=CC=CC=C21)[N+]#[C-] |
Product Overview
methyl 3-(1H-indol-3-yl)-2-isocyanopropanoate (CAS 53941-27-8), with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol. IUPAC: methyl 3-(1H-indol-3-yl)-2-isocyanopropanoate.
Chemical Property Profile of methyl 3-(1H-indol-3-yl)-2-isocyanopropanoate
Property Insights of methyl 3-(1H-indol-3-yl)-2-isocyanopropanoate
The XLogP value of 2.17129 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-(1H-indol-3-yl)-2-isocyanopropanoate. With a topological polar surface area (TPSA) of 46.45 Ų, methyl 3-(1H-indol-3-yl)-2-isocyanopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 3-(1H-indol-3-yl)-2-isocyanopropanoate 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-indol-3-yl)-2-isocyanopropanoate?
The CAS number of methyl 3-(1H-indol-3-yl)-2-isocyanopropanoate is 53941-27-8.
What is the molecular formula of methyl 3-(1H-indol-3-yl)-2-isocyanopropanoate?
The molecular formula of methyl 3-(1H-indol-3-yl)-2-isocyanopropanoate is C13H12N2O2.
What is the molecular weight of methyl 3-(1H-indol-3-yl)-2-isocyanopropanoate?
The molecular weight of methyl 3-(1H-indol-3-yl)-2-isocyanopropanoate is 228.09 g/mol.
Where can I buy methyl 3-(1H-indol-3-yl)-2-isocyanopropanoate?
You can request a quote for methyl 3-(1H-indol-3-yl)-2-isocyanopropanoate 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-indol-3-yl)-2-isocyanopropanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(1H-indol-3-yl)-2-isocyanopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.