1-甲基-2-苯基-1H-吲哚-3-甲醛
TL;DR: 1-甲基-2-苯基-1H-吲哚-3-甲醛 (CAS 1757-72-8) is a chemical compound with molecular formula C16H13NO and molecular weight 235.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-甲基-2-苯基-1H-吲哚-3-甲醛
1-methyl-2-phenylindole-3-carbaldehyde
Also Known As: 1-Methyl-2-phenyl-1H-indole-3-carbaldehyde, 1-methyl-2-phenylindole-3-carboxaldehyde, 1-methyl-2-phenylindole-3-carbaldehyde, 1H-Indole-3-carboxaldehyde, 1-methyl-2-phenyl-, 1-Methyl-2-phenyl-3-formylindole
| Molecular Formula | C16H13NO |
|---|---|
| Molecular Weight | 235.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.09972 |
| Heavy Atoms | 18 |
| Complexity | 297.0 |
| Solubility | 19.5 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 1757-72-8 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C=O |
| InChIKey | YJOWMBICANYBLV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-甲基-2-苯基-1H-吲哚-3-甲醛 (CAS 1757-72-8), with molecular formula C16H13NO and molecular weight 235.10 g/mol. IUPAC: 1-methyl-2-phenylindole-3-carbaldehyde.
Chemical Property Profile of 1-甲基-2-苯基-1H-吲哚-3-甲醛
Property Insights of 1-甲基-2-苯基-1H-吲哚-3-甲醛
The XLogP value of 3.1 indicates that 1-甲基-2-苯基-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 22.0 Ų, 1-甲基-2-苯基-1H-吲哚-3-甲醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-甲基-2-苯基-1H-吲哚-3-甲醛 has 0 hydrogen bond donor(s) and 1 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 1-甲基-2-苯基-1H-吲哚-3-甲醛?
The CAS number of 1-甲基-2-苯基-1H-吲哚-3-甲醛 is 1757-72-8.
What is the molecular formula of 1-甲基-2-苯基-1H-吲哚-3-甲醛?
The molecular formula of 1-甲基-2-苯基-1H-吲哚-3-甲醛 is C16H13NO.
What is the molecular weight of 1-甲基-2-苯基-1H-吲哚-3-甲醛?
The molecular weight of 1-甲基-2-苯基-1H-吲哚-3-甲醛 is 235.10 g/mol.
Where can I buy 1-甲基-2-苯基-1H-吲哚-3-甲醛?
You can request a quote for 1-甲基-2-苯基-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 1-甲基-2-苯基-1H-吲哚-3-甲醛?
Yes, KEHONG BIO provides custom synthesis services for 1-甲基-2-苯基-1H-吲哚-3-甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.