5-氫氧靛基醋酸
TL;DR: 5-氫氧靛基醋酸 (CAS 54-16-0) is a chemical compound with molecular formula C10H9NO3 and molecular weight 191.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-氫氧靛基醋酸
2-(5-hydroxy-1H-indol-3-yl)acetic acid
Also Known As: 5-Hydroxyindole-3-acetic acid, 5-HIAA, 2-(5-hydroxy-1H-indol-3-yl)acetic acid, 5-Hydroxyindoleacetic acid, Hydroxyindoleacetic acid
| Molecular Formula | C10H9NO3 |
|---|---|
| Molecular Weight | 191.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 73.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.05824 |
| Heavy Atoms | 14 |
| Complexity | 231.0 |
| Melting Point | 161 - 163 °C |
| Solubility | 24 mg/mL |
Chemical Identifiers
| CAS Number | 54-16-0 |
|---|---|
| SMILES | C1=CC2=C(C=C1O)C(=CN2)CC(=O)O |
| InChIKey | DUUGKQCEGZLZNO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-氫氧靛基醋酸 (CAS 54-16-0), with molecular formula C10H9NO3 and molecular weight 191.06 g/mol. IUPAC: 2-(5-hydroxy-1H-indol-3-yl)acetic acid.
Chemical Property Profile of 5-氫氧靛基醋酸
Property Insights of 5-氫氧靛基醋酸
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-氫氧靛基醋酸. The TPSA of 73.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-氫氧靛基醋酸. Following Lipinski's Rule of Five, 5-氫氧靛基醋酸 has 3 hydrogen bond donor(s) and 3 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 5-氫氧靛基醋酸?
The CAS number of 5-氫氧靛基醋酸 is 54-16-0.
What is the molecular formula of 5-氫氧靛基醋酸?
The molecular formula of 5-氫氧靛基醋酸 is C10H9NO3.
What is the molecular weight of 5-氫氧靛基醋酸?
The molecular weight of 5-氫氧靛基醋酸 is 191.06 g/mol.
Where can I buy 5-氫氧靛基醋酸?
You can request a quote for 5-氫氧靛基醋酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-氫氧靛基醋酸?
Yes, KEHONG BIO provides custom synthesis services for 5-氫氧靛基醋酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.