5-溴-3-吲哚乙酸
TL;DR: 5-溴-3-吲哚乙酸 (CAS 40432-84-6) is a chemical compound with molecular formula C10H8BrNO2 and molecular weight 252.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-溴-3-吲哚乙酸
2-(5-bromo-1H-indol-3-yl)acetic acid
Also Known As: 5-Bromoindole-3-acetic acid, 2-(5-bromo-1H-indol-3-yl)acetic acid, 4ojq, (5-Bromo-1H-indol-3-yl)-acetic acid, 5-Bromo-3-indoleacetic acid
| Molecular Formula | C10H8BrNO2 |
|---|---|
| Molecular Weight | 252.97 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.97385 |
| Heavy Atoms | 14 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 40432-84-6 |
|---|---|
| SMILES | C1=CC2=C(C=C1Br)C(=CN2)CC(=O)O |
| InChIKey | WTFGHMZUJMRWBK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-溴-3-吲哚乙酸 (CAS 40432-84-6), with molecular formula C10H8BrNO2 and molecular weight 252.97 g/mol. IUPAC: 2-(5-bromo-1H-indol-3-yl)acetic acid.
Chemical Property Profile of 5-溴-3-吲哚乙酸
Property Insights of 5-溴-3-吲哚乙酸
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-溴-3-吲哚乙酸. With a topological polar surface area (TPSA) of 53.1 Ų, 5-溴-3-吲哚乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-溴-3-吲哚乙酸 has 2 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 5-溴-3-吲哚乙酸?
The CAS number of 5-溴-3-吲哚乙酸 is 40432-84-6.
What is the molecular formula of 5-溴-3-吲哚乙酸?
The molecular formula of 5-溴-3-吲哚乙酸 is C10H8BrNO2.
What is the molecular weight of 5-溴-3-吲哚乙酸?
The molecular weight of 5-溴-3-吲哚乙酸 is 252.97 g/mol.
Where can I buy 5-溴-3-吲哚乙酸?
You can request a quote for 5-溴-3-吲哚乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-溴-3-吲哚乙酸?
Yes, KEHONG BIO provides custom synthesis services for 5-溴-3-吲哚乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.