1-苄基-1H-吲哚-3-甲醛
TL;DR: 1-苄基-1H-吲哚-3-甲醛 (CAS 856437-11-1) 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-苄基-1H-吲哚-3-甲醛
1-benzylindole-3-carbaldehyde
Also Known As: 1-benzyl-1H-indole-3-carbaldehyde, 1-benzylindole-3-carbaldehyde, 1-Benzylindole-3-carboxaldehyde, 1-Benzyl-3-indolylaldehyde, 1-Benzyl-1H-indole-3-carboxaldehyde
| 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 | 3 |
| Exact Mass | 235.09972 |
| Heavy Atoms | 18 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 856437-11-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=O |
| InChIKey | OXCITQLDOUGVRZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-苄基-1H-吲哚-3-甲醛 (CAS 856437-11-1), with molecular formula C16H13NO and molecular weight 235.10 g/mol. IUPAC: 1-benzylindole-3-carbaldehyde.
Chemical Property Profile of 1-苄基-1H-吲哚-3-甲醛
Property Insights of 1-苄基-1H-吲哚-3-甲醛
The XLogP value of 3.1 indicates that 1-苄基-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-苄基-1H-吲哚-3-甲醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-苄基-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-苄基-1H-吲哚-3-甲醛?
The CAS number of 1-苄基-1H-吲哚-3-甲醛 is 856437-11-1.
What is the molecular formula of 1-苄基-1H-吲哚-3-甲醛?
The molecular formula of 1-苄基-1H-吲哚-3-甲醛 is C16H13NO.
What is the molecular weight of 1-苄基-1H-吲哚-3-甲醛?
The molecular weight of 1-苄基-1H-吲哚-3-甲醛 is 235.10 g/mol.
Where can I buy 1-苄基-1H-吲哚-3-甲醛?
You can request a quote for 1-苄基-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-苄基-1H-吲哚-3-甲醛?
Yes, KEHONG BIO provides custom synthesis services for 1-苄基-1H-吲哚-3-甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.