5-(phenylmethoxy)-1H-indole-3-carbaldehyde
TL;DR: 5-(phenylmethoxy)-1H-indole-3-carbaldehyde (CAS 6953-22-6) is a chemical compound with molecular formula C16H13NO2 and molecular weight 251.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-phenylmethoxy-1H-indole-3-carbaldehyde
Also Known As: 5-Benzyloxyindole-3-carboxaldehyde, 5-Benzyloxyindole-3-carbaldehyde, 5-(Benzyloxy)-1H-indole-3-carbaldehyde, 5-benzyloxy-3-formylindole, 5-benzyloxy-1h-indole-3-carbaldehyde
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H13NO2 |
| Molecular Weight | 251.09464 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.09464 Da |
| Heavy Atoms | 19 |
| Complexity | 301.0 |
| Solubility | <0.5 [ug/mL] (The mean of the results at pH 7.4) |
| SMILES | C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3C=O |
| InChIKey | DJGNUBADRQIDNQ-UHFFFAOYSA-N |
Product Description
Applications: 5-(phenylmethoxy)-1H-indole-3-carbaldehyde is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
5-(phenylmethoxy)-1H-indole-3-carbaldehyde (CAS 6953-22-6) is a heterocyclic building block with the molecular formula C16H13NO2 and a molecular weight of 251.09 g/mol. Key physical properties include a solubility: <0.5 [ug/mL] (The mean of the results at pH 7.4). Synonyms include 5-Benzyloxyindole-3-carboxaldehyde and 5-Benzyloxyindole-3-carbaldehyde.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 5-(phenylmethoxy)-1H-indole-3-carbaldehyde
Property Insights of 5-(phenylmethoxy)-1H-indole-3-carbaldehyde
The XLogP value of 3.1 indicates that 5-(phenylmethoxy)-1H-indole-3-carbaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.1 Ų, 5-(phenylmethoxy)-1H-indole-3-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(phenylmethoxy)-1H-indole-3-carbaldehyde 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
What is the CAS number of 5-(phenylmethoxy)-1H-indole-3-carbaldehyde?
The CAS number of 5-(phenylmethoxy)-1H-indole-3-carbaldehyde is 6953-22-6.
What is the molecular formula of 5-(phenylmethoxy)-1H-indole-3-carbaldehyde?
The molecular formula of 5-(phenylmethoxy)-1H-indole-3-carbaldehyde is C16H13NO2.
What is the molecular weight of 5-(phenylmethoxy)-1H-indole-3-carbaldehyde?
The molecular weight of 5-(phenylmethoxy)-1H-indole-3-carbaldehyde is 251.09464 g/mol.
What are the applications of 5-(phenylmethoxy)-1H-indole-3-carbaldehyde?
5-(phenylmethoxy)-1H-indole-3-carbaldehyde is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as...
Where can I buy 5-(phenylmethoxy)-1H-indole-3-carbaldehyde?
You can request a quote for 5-(phenylmethoxy)-1H-indole-3-carbaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(phenylmethoxy)-1H-indole-3-carbaldehyde?
Yes, CoreyChem provides custom synthesis services for 5-(phenylmethoxy)-1H-indole-3-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.