methyl 1-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate
TL;DR: methyl 1-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate (CAS 73967-75-6) is a chemical compound with molecular formula C18H17NO3 and molecular weight 295.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-benzyl-5-hydroxy-2-methylindole-3-carboxylate
Also Known As: TimTec1_007907, BAS 05331311, IDI1_033561, methyl 1-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate, methyl 1-benzyl-5-hydroxy-2-methylindole-3-carboxylate
| Molecular Formula | C18H17NO3 |
|---|---|
| Molecular Weight | 295.12 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 51.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.12085 |
| Heavy Atoms | 22 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 73967-75-6 |
|---|---|
| SMILES | CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)O)C(=O)OC |
| InChIKey | BUKQZJZSLPYEOY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
methyl 1-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate (CAS 73967-75-6), with molecular formula C18H17NO3 and molecular weight 295.12 g/mol. IUPAC: methyl 1-benzyl-5-hydroxy-2-methylindole-3-carboxylate.
Chemical Property Profile of methyl 1-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate
Property Insights of methyl 1-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate
The XLogP value of 3.5 indicates that methyl 1-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.5 Ų, methyl 1-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 1-benzyl-5-hydroxy-2-methyl-1H-indole-3-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 1-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate?
The CAS number of methyl 1-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate is 73967-75-6.
What is the molecular formula of methyl 1-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate?
The molecular formula of methyl 1-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate is C18H17NO3.
What is the molecular weight of methyl 1-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate?
The molecular weight of methyl 1-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate is 295.12 g/mol.
Where can I buy methyl 1-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate?
You can request a quote for methyl 1-benzyl-5-hydroxy-2-methyl-1H-indole-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 1-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-benzyl-5-hydroxy-2-methyl-1H-indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.