2-((4-溴苯基)硫基)乙酸
TL;DR: 2-((4-溴苯基)硫基)乙酸 (CAS 3406-76-6) is a chemical compound with molecular formula C8H7BrO2S and molecular weight 245.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-((4-溴苯基)硫基)乙酸
2-(4-bromophenyl)sulfanylacetic acid
Also Known As: (4-Bromo-phenylsulfanyl)-acetic acid, 4-Bromo-phenylthioacetic acid, 2-(4-bromophenyl)sulfanylacetic acid, 2-[(4-bromophenyl)sulfanyl]acetic acid, 2-((4-Bromophenyl)thio)acetic acid
| Molecular Formula | C8H7BrO2S |
|---|---|
| Molecular Weight | 245.94 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.93501 |
| Heavy Atoms | 12 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 3406-76-6 |
|---|---|
| SMILES | C1=CC(=CC=C1SCC(=O)O)Br |
| InChIKey | ZREFBQZGAVWLKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-((4-溴苯基)硫基)乙酸 (CAS 3406-76-6), with molecular formula C8H7BrO2S and molecular weight 245.94 g/mol. IUPAC: 2-(4-bromophenyl)sulfanylacetic acid.
Chemical Property Profile of 2-((4-溴苯基)硫基)乙酸
Property Insights of 2-((4-溴苯基)硫基)乙酸
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-溴苯基)硫基)乙酸. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-溴苯基)硫基)乙酸. Following Lipinski's Rule of Five, 2-((4-溴苯基)硫基)乙酸 has 1 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 2-((4-溴苯基)硫基)乙酸?
The CAS number of 2-((4-溴苯基)硫基)乙酸 is 3406-76-6.
What is the molecular formula of 2-((4-溴苯基)硫基)乙酸?
The molecular formula of 2-((4-溴苯基)硫基)乙酸 is C8H7BrO2S.
What is the molecular weight of 2-((4-溴苯基)硫基)乙酸?
The molecular weight of 2-((4-溴苯基)硫基)乙酸 is 245.94 g/mol.
Where can I buy 2-((4-溴苯基)硫基)乙酸?
You can request a quote for 2-((4-溴苯基)硫基)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-((4-溴苯基)硫基)乙酸?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-溴苯基)硫基)乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.