5-(苯甲氧基)-1H-吲哚-3-甲醛
TL;DR: 5-(苯甲氧基)-1H-吲哚-3-甲醛 (CAS 6953-22-6) is a chemical compound with molecular formula C16H13NO2 and molecular weight 251.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(苯甲氧基)-1H-吲哚-3-甲醛
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
| Molecular Formula | C16H13NO2 |
|---|---|
| Molecular Weight | 251.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.09464 |
| Heavy Atoms | 19 |
| Complexity | 301.0 |
| Solubility | <0.5 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 6953-22-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3C=O |
| InChIKey | DJGNUBADRQIDNQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(苯甲氧基)-1H-吲哚-3-甲醛 (CAS 6953-22-6), with molecular formula C16H13NO2 and molecular weight 251.09 g/mol. IUPAC: 5-phenylmethoxy-1H-indole-3-carbaldehyde.
Chemical Property Profile of 5-(苯甲氧基)-1H-吲哚-3-甲醛
Property Insights of 5-(苯甲氧基)-1H-吲哚-3-甲醛
The XLogP value of 3.1 indicates that 5-(苯甲氧基)-1H-吲哚-3-甲醛 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-(苯甲氧基)-1H-吲哚-3-甲醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(苯甲氧基)-1H-吲哚-3-甲醛 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 5-(苯甲氧基)-1H-吲哚-3-甲醛?
The CAS number of 5-(苯甲氧基)-1H-吲哚-3-甲醛 is 6953-22-6.
What is the molecular formula of 5-(苯甲氧基)-1H-吲哚-3-甲醛?
The molecular formula of 5-(苯甲氧基)-1H-吲哚-3-甲醛 is C16H13NO2.
What is the molecular weight of 5-(苯甲氧基)-1H-吲哚-3-甲醛?
The molecular weight of 5-(苯甲氧基)-1H-吲哚-3-甲醛 is 251.09 g/mol.
Where can I buy 5-(苯甲氧基)-1H-吲哚-3-甲醛?
You can request a quote for 5-(苯甲氧基)-1H-吲哚-3-甲醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(苯甲氧基)-1H-吲哚-3-甲醛?
Yes, KEHONG BIO provides custom synthesis services for 5-(苯甲氧基)-1H-吲哚-3-甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.