2-氯-1-苯基-1H-吲哚-3-乙酸
TL;DR: 2-氯-1-苯基-1H-吲哚-3-乙酸 (CAS 64611-73-0) is a chemical compound with molecular formula C16H12ClNO2 and molecular weight 285.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯-1-苯基-1H-吲哚-3-乙酸
2-(2-chloro-1-phenylindol-3-yl)acetic acid
Also Known As: 1H-Indole-3-acetic acid, 2-chloro-1-phenyl-, 1-Phenyl-2-chloroindole-3-acetic acid, 2-Chloro-1-phenyl-1H-indole-3-acetic acid, 2-(2-Chloro-1-phenyl-1H-indol-3-yl)acetic acid, 2-(2-chloro-1-phenylindol-3-yl)acetic acid
| Molecular Formula | C16H12ClNO2 |
|---|---|
| Molecular Weight | 285.06 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.05566 |
| Heavy Atoms | 20 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 64611-73-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3=CC=CC=C3C(=C2Cl)CC(=O)O |
| InChIKey | VQBVHVQOXIDVBS-UHFFFAOYSA-N |
Product Overview
2-氯-1-苯基-1H-吲哚-3-乙酸 (CAS 64611-73-0), with molecular formula C16H12ClNO2 and molecular weight 285.06 g/mol. IUPAC: 2-(2-chloro-1-phenylindol-3-yl)acetic acid.
Chemical Property Profile of 2-氯-1-苯基-1H-吲哚-3-乙酸
Property Insights of 2-氯-1-苯基-1H-吲哚-3-乙酸
The XLogP value of 4.1 indicates that 2-氯-1-苯基-1H-吲哚-3-乙酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.2 Ų, 2-氯-1-苯基-1H-吲哚-3-乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氯-1-苯基-1H-吲哚-3-乙酸 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 2-氯-1-苯基-1H-吲哚-3-乙酸?
The CAS number of 2-氯-1-苯基-1H-吲哚-3-乙酸 is 64611-73-0.
What is the molecular formula of 2-氯-1-苯基-1H-吲哚-3-乙酸?
The molecular formula of 2-氯-1-苯基-1H-吲哚-3-乙酸 is C16H12ClNO2.
What is the molecular weight of 2-氯-1-苯基-1H-吲哚-3-乙酸?
The molecular weight of 2-氯-1-苯基-1H-吲哚-3-乙酸 is 285.06 g/mol.
Where can I buy 2-氯-1-苯基-1H-吲哚-3-乙酸?
You can request a quote for 2-氯-1-苯基-1H-吲哚-3-乙酸 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-苯基-1H-吲哚-3-乙酸?
Yes, KEHONG BIO provides custom synthesis services for 2-氯-1-苯基-1H-吲哚-3-乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.