2,5-Ditert-butyl-4-phenyl-3-thiophenecarboxylic acid
TL;DR: 2,5-Ditert-butyl-4-phenyl-3-thiophenecarboxylic acid (CAS 40196-85-8) is a chemical compound with molecular formula C19H24O2S and molecular weight 316.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-ditert-butyl-4-phenylthiophene-3-carboxylic acid
Also Known As: 2,5-ditert-butyl-4-phenyl-3-thiophenecarboxylic acid, AI-942/13332176, 2,5-ditert-butyl-4-phenylthiophene-3-carboxylic acid
| Molecular Formula | C19H24O2S |
|---|---|
| Molecular Weight | 316.15 g/mol |
| LogP | 5.7083 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.1497 |
| Heavy Atoms | 22 |
| Complexity | 682.70575 |
Chemical Identifiers
| CAS Number | 40196-85-8 |
|---|---|
| SMILES | CC(C)(C)C1=C(C(=C(S1)C(C)(C)C)C(=O)O)C2=CC=CC=C2 |
Product Overview
2,5-Ditert-butyl-4-phenyl-3-thiophenecarboxylic acid (CAS 40196-85-8), with molecular formula C19H24O2S and molecular weight 316.15 g/mol. IUPAC: 2,5-ditert-butyl-4-phenylthiophene-3-carboxylic acid.
Chemical Property Profile of 2,5-Ditert-butyl-4-phenyl-3-thiophenecarboxylic acid
Property Insights of 2,5-Ditert-butyl-4-phenyl-3-thiophenecarboxylic acid
The XLogP value of 5.7083 indicates that 2,5-Ditert-butyl-4-phenyl-3-thiophenecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2,5-Ditert-butyl-4-phenyl-3-thiophenecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Ditert-butyl-4-phenyl-3-thiophenecarboxylic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,5-Ditert-butyl-4-phenyl-3-thiophenecarboxylic acid?
The CAS number of 2,5-Ditert-butyl-4-phenyl-3-thiophenecarboxylic acid is 40196-85-8.
What is the molecular formula of 2,5-Ditert-butyl-4-phenyl-3-thiophenecarboxylic acid?
The molecular formula of 2,5-Ditert-butyl-4-phenyl-3-thiophenecarboxylic acid is C19H24O2S.
What is the molecular weight of 2,5-Ditert-butyl-4-phenyl-3-thiophenecarboxylic acid?
The molecular weight of 2,5-Ditert-butyl-4-phenyl-3-thiophenecarboxylic acid is 316.15 g/mol.
Where can I buy 2,5-Ditert-butyl-4-phenyl-3-thiophenecarboxylic acid?
You can request a quote for 2,5-Ditert-butyl-4-phenyl-3-thiophenecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Ditert-butyl-4-phenyl-3-thiophenecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Ditert-butyl-4-phenyl-3-thiophenecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.