3-Thiopheneacetic acid, 5-(4-bromophenyl)-
TL;DR: 3-Thiopheneacetic acid, 5-(4-bromophenyl)- (CAS 177540-87-3) is a chemical compound with molecular formula C12H9BrO2S and molecular weight 295.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(4-bromophenyl)thiophen-3-yl]acetic acid
Also Known As: 3-Thiopheneacetic acid, 5-(4-bromophenyl)-, 2-[5-(4-bromophenyl)thiophen-3-yl]acetic Acid, 7-N,N-diethylamino-3-benzimidazolyl-2-iminocoumarin, [5-(4-BROMOPHENYL)THIOPHEN-3-YL]ACETIC ACID
| Molecular Formula | C12H9BrO2S |
|---|---|
| Molecular Weight | 295.95 g/mol |
| LogP | 3.8047 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.95065 |
| Heavy Atoms | 16 |
| Complexity | 501.99225 |
Chemical Identifiers
| CAS Number | 177540-87-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC(=CS2)CC(=O)O)Br |
Product Overview
3-Thiopheneacetic acid, 5-(4-bromophenyl)- (CAS 177540-87-3), with molecular formula C12H9BrO2S and molecular weight 295.95 g/mol. IUPAC: 2-[5-(4-bromophenyl)thiophen-3-yl]acetic acid.
Chemical Property Profile of 3-Thiopheneacetic acid, 5-(4-bromophenyl)-
Property Insights of 3-Thiopheneacetic acid, 5-(4-bromophenyl)-
The XLogP value of 3.8047 indicates that 3-Thiopheneacetic acid, 5-(4-bromophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Thiopheneacetic acid, 5-(4-bromophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Thiopheneacetic acid, 5-(4-bromophenyl)- 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 3-Thiopheneacetic acid, 5-(4-bromophenyl)-?
The CAS number of 3-Thiopheneacetic acid, 5-(4-bromophenyl)- is 177540-87-3.
What is the molecular formula of 3-Thiopheneacetic acid, 5-(4-bromophenyl)-?
The molecular formula of 3-Thiopheneacetic acid, 5-(4-bromophenyl)- is C12H9BrO2S.
What is the molecular weight of 3-Thiopheneacetic acid, 5-(4-bromophenyl)-?
The molecular weight of 3-Thiopheneacetic acid, 5-(4-bromophenyl)- is 295.95 g/mol.
Where can I buy 3-Thiopheneacetic acid, 5-(4-bromophenyl)-?
You can request a quote for 3-Thiopheneacetic acid, 5-(4-bromophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Thiopheneacetic acid, 5-(4-bromophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Thiopheneacetic acid, 5-(4-bromophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.