3-(3-氨丙基)-2-羧基吲哚-7-乙酸
TL;DR: 3-(3-氨丙基)-2-羧基吲哚-7-乙酸 (CAS 66859-92-5) is a chemical compound with molecular formula C14H16N2O4 and molecular weight 276.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-氨丙基)-2-羧基吲哚-7-乙酸
3-(3-aminopropyl)-7-(carboxymethyl)-1H-indole-2-carboxylic acid
Also Known As: 2-Carboxy-3-(gamma-aminopropyl)-indole-7-acetic acid, INDOLE-7-ACETIC ACID, 3-(3-AMINOPROPYL)-2-CARBOXY-, 3-(3-aminopropyl)-7-(carboxymethyl)-1H-indole-2-carboxylic acid, RefChem:349351
| Molecular Formula | C14H16N2O4 |
|---|---|
| Molecular Weight | 276.11 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 276.111 |
| Heavy Atoms | 20 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 66859-92-5 |
|---|---|
| SMILES | C1=CC(=C2C(=C1)C(=C(N2)C(=O)O)CCCN)CC(=O)O |
| InChIKey | PIXRGGVLRWHHIE-UHFFFAOYSA-N |
Product Overview
3-(3-氨丙基)-2-羧基吲哚-7-乙酸 (CAS 66859-92-5), with molecular formula C14H16N2O4 and molecular weight 276.11 g/mol. IUPAC: 3-(3-aminopropyl)-7-(carboxymethyl)-1H-indole-2-carboxylic acid.
Chemical Property Profile of 3-(3-氨丙基)-2-羧基吲哚-7-乙酸
Property Insights of 3-(3-氨丙基)-2-羧基吲哚-7-乙酸
The XLogP value of -1.2 indicates that 3-(3-氨丙基)-2-羧基吲哚-7-乙酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-氨丙基)-2-羧基吲哚-7-乙酸. Following Lipinski's Rule of Five, 3-(3-氨丙基)-2-羧基吲哚-7-乙酸 has 4 hydrogen bond donor(s) and 5 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 3-(3-氨丙基)-2-羧基吲哚-7-乙酸?
The CAS number of 3-(3-氨丙基)-2-羧基吲哚-7-乙酸 is 66859-92-5.
What is the molecular formula of 3-(3-氨丙基)-2-羧基吲哚-7-乙酸?
The molecular formula of 3-(3-氨丙基)-2-羧基吲哚-7-乙酸 is C14H16N2O4.
What is the molecular weight of 3-(3-氨丙基)-2-羧基吲哚-7-乙酸?
The molecular weight of 3-(3-氨丙基)-2-羧基吲哚-7-乙酸 is 276.11 g/mol.
Where can I buy 3-(3-氨丙基)-2-羧基吲哚-7-乙酸?
You can request a quote for 3-(3-氨丙基)-2-羧基吲哚-7-乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-氨丙基)-2-羧基吲哚-7-乙酸?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-氨丙基)-2-羧基吲哚-7-乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.