2-氯-1-(4-甲基苯甲酰基)吲哚-3-甲醛
TL;DR: 2-氯-1-(4-甲基苯甲酰基)吲哚-3-甲醛 (CAS 57989-37-4) is a chemical compound with molecular formula C17H12ClNO2 and molecular weight 297.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯-1-(4-甲基苯甲酰基)吲哚-3-甲醛
2-chloro-1-(4-methylbenzoyl)indole-3-carbaldehyde
Also Known As: 2-chloro-1-(4-methylbenzoyl)indole-3-carbaldehyde, 2-Chloro-1-(4-methylbenzoyl)-1H-indole-3-carbaldehyde
| Molecular Formula | C17H12ClNO2 |
|---|---|
| Molecular Weight | 297.06 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 39.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.05566 |
| Heavy Atoms | 21 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 57989-37-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3C(=C2Cl)C=O |
| InChIKey | QCKYCYNCXIXPDJ-UHFFFAOYSA-N |
Product Overview
2-氯-1-(4-甲基苯甲酰基)吲哚-3-甲醛 (CAS 57989-37-4), with molecular formula C17H12ClNO2 and molecular weight 297.06 g/mol. IUPAC: 2-chloro-1-(4-methylbenzoyl)indole-3-carbaldehyde.
Chemical Property Profile of 2-氯-1-(4-甲基苯甲酰基)吲哚-3-甲醛
Property Insights of 2-氯-1-(4-甲基苯甲酰基)吲哚-3-甲醛
The XLogP value of 4.3 indicates that 2-氯-1-(4-甲基苯甲酰基)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, 2-氯-1-(4-甲基苯甲酰基)吲哚-3-甲醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氯-1-(4-甲基苯甲酰基)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 2-氯-1-(4-甲基苯甲酰基)吲哚-3-甲醛?
The CAS number of 2-氯-1-(4-甲基苯甲酰基)吲哚-3-甲醛 is 57989-37-4.
What is the molecular formula of 2-氯-1-(4-甲基苯甲酰基)吲哚-3-甲醛?
The molecular formula of 2-氯-1-(4-甲基苯甲酰基)吲哚-3-甲醛 is C17H12ClNO2.
What is the molecular weight of 2-氯-1-(4-甲基苯甲酰基)吲哚-3-甲醛?
The molecular weight of 2-氯-1-(4-甲基苯甲酰基)吲哚-3-甲醛 is 297.06 g/mol.
Where can I buy 2-氯-1-(4-甲基苯甲酰基)吲哚-3-甲醛?
You can request a quote for 2-氯-1-(4-甲基苯甲酰基)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 2-氯-1-(4-甲基苯甲酰基)吲哚-3-甲醛?
Yes, KEHONG BIO provides custom synthesis services for 2-氯-1-(4-甲基苯甲酰基)吲哚-3-甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.