1-苯甲酰-2-氯-1H-吲哚-3-甲醛
TL;DR: 1-苯甲酰-2-氯-1H-吲哚-3-甲醛 (CAS 54778-14-2) is a chemical compound with molecular formula C16H10ClNO2 and molecular weight 283.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-苯甲酰-2-氯-1H-吲哚-3-甲醛
1-benzoyl-2-chloroindole-3-carbaldehyde
Also Known As: 1-Benzoyl-2-chloro-1H-indole-3-carbaldehyde, 1-benzoyl-2-chloroindole-3-carbaldehyde, 1-benzoyl-2-chloro-indole-3-carbaldehyde, 1-benzoyl-2-chloroindole-3-carboxaldehyde
| Molecular Formula | C16H10ClNO2 |
|---|---|
| Molecular Weight | 283.04 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 39.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.04 |
| Heavy Atoms | 20 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 54778-14-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3C(=C2Cl)C=O |
| InChIKey | ZDYNRRRALOJLBW-UHFFFAOYSA-N |
Product Overview
1-苯甲酰-2-氯-1H-吲哚-3-甲醛 (CAS 54778-14-2), with molecular formula C16H10ClNO2 and molecular weight 283.04 g/mol. IUPAC: 1-benzoyl-2-chloroindole-3-carbaldehyde.
Chemical Property Profile of 1-苯甲酰-2-氯-1H-吲哚-3-甲醛
Property Insights of 1-苯甲酰-2-氯-1H-吲哚-3-甲醛
The XLogP value of 4.0 indicates that 1-苯甲酰-2-氯-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 39.1 Ų, 1-苯甲酰-2-氯-1H-吲哚-3-甲醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-苯甲酰-2-氯-1H-吲哚-3-甲醛 has 0 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 1-苯甲酰-2-氯-1H-吲哚-3-甲醛?
The CAS number of 1-苯甲酰-2-氯-1H-吲哚-3-甲醛 is 54778-14-2.
What is the molecular formula of 1-苯甲酰-2-氯-1H-吲哚-3-甲醛?
The molecular formula of 1-苯甲酰-2-氯-1H-吲哚-3-甲醛 is C16H10ClNO2.
What is the molecular weight of 1-苯甲酰-2-氯-1H-吲哚-3-甲醛?
The molecular weight of 1-苯甲酰-2-氯-1H-吲哚-3-甲醛 is 283.04 g/mol.
Where can I buy 1-苯甲酰-2-氯-1H-吲哚-3-甲醛?
You can request a quote for 1-苯甲酰-2-氯-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-苯甲酰-2-氯-1H-吲哚-3-甲醛?
Yes, KEHONG BIO provides custom synthesis services for 1-苯甲酰-2-氯-1H-吲哚-3-甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.