methyl 2-(1H-indol-3-yl)-4-oxopentanoate
TL;DR: methyl 2-(1H-indol-3-yl)-4-oxopentanoate (CAS 313499-45-5) is a chemical compound with molecular formula C14H15NO3 and molecular weight 245.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1H-indol-3-yl)-4-oxopentanoate
Also Known As: methyl 2-(1H-indol-3-yl)-4-oxopentanoate, A1050/0049240
| Molecular Formula | C14H15NO3 |
|---|---|
| Molecular Weight | 245.11 g/mol |
| LogP | 2.4036 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.1052 |
| Heavy Atoms | 18 |
| Complexity | 585.4916 |
Chemical Identifiers
| CAS Number | 313499-45-5 |
|---|---|
| SMILES | CC(=O)CC(C1=CNC2=CC=CC=C21)C(=O)OC |
Product Overview
methyl 2-(1H-indol-3-yl)-4-oxopentanoate (CAS 313499-45-5), with molecular formula C14H15NO3 and molecular weight 245.11 g/mol. IUPAC: methyl 2-(1H-indol-3-yl)-4-oxopentanoate.
Chemical Property Profile of methyl 2-(1H-indol-3-yl)-4-oxopentanoate
Property Insights of methyl 2-(1H-indol-3-yl)-4-oxopentanoate
The XLogP value of 2.4036 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(1H-indol-3-yl)-4-oxopentanoate. With a topological polar surface area (TPSA) of 59.16 Ų, methyl 2-(1H-indol-3-yl)-4-oxopentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-(1H-indol-3-yl)-4-oxopentanoate 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 2-(1H-indol-3-yl)-4-oxopentanoate?
The CAS number of methyl 2-(1H-indol-3-yl)-4-oxopentanoate is 313499-45-5.
What is the molecular formula of methyl 2-(1H-indol-3-yl)-4-oxopentanoate?
The molecular formula of methyl 2-(1H-indol-3-yl)-4-oxopentanoate is C14H15NO3.
What is the molecular weight of methyl 2-(1H-indol-3-yl)-4-oxopentanoate?
The molecular weight of methyl 2-(1H-indol-3-yl)-4-oxopentanoate is 245.11 g/mol.
Where can I buy methyl 2-(1H-indol-3-yl)-4-oxopentanoate?
You can request a quote for methyl 2-(1H-indol-3-yl)-4-oxopentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(1H-indol-3-yl)-4-oxopentanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(1H-indol-3-yl)-4-oxopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.