4-Benzhydrylthiophene-3-carboxylic acid
TL;DR: 4-Benzhydrylthiophene-3-carboxylic acid (CAS 36540-51-9) is a chemical compound with molecular formula C18H14O2S and molecular weight 294.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzhydrylthiophene-3-carboxylic acid
Also Known As: 4-benzhydrylthiophene-3-carboxylic acid, 4-benzhydryl-thiophene-3-carboxylic acid, 4-benzhydrylthiophene-3-carboxylicacid, 4-benzhydryl-3-thiophenecarboxylic acid, 4-(Diphenylmethyl)thiophene-3-carboxylic acid
| Molecular Formula | C18H14O2S |
|---|---|
| Molecular Weight | 294.07 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.07144 |
| Heavy Atoms | 21 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 36540-51-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CSC=C3C(=O)O |
| InChIKey | BYRUKMRBPYPFJR-UHFFFAOYSA-N |
Product Overview
4-Benzhydrylthiophene-3-carboxylic acid (CAS 36540-51-9), with molecular formula C18H14O2S and molecular weight 294.07 g/mol. IUPAC: 4-benzhydrylthiophene-3-carboxylic acid.
Chemical Property Profile of 4-Benzhydrylthiophene-3-carboxylic acid
Property Insights of 4-Benzhydrylthiophene-3-carboxylic acid
The XLogP value of 4.5 indicates that 4-Benzhydrylthiophene-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Benzhydrylthiophene-3-carboxylic acid. Following Lipinski's Rule of Five, 4-Benzhydrylthiophene-3-carboxylic acid 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 4-Benzhydrylthiophene-3-carboxylic acid?
The CAS number of 4-Benzhydrylthiophene-3-carboxylic acid is 36540-51-9.
What is the molecular formula of 4-Benzhydrylthiophene-3-carboxylic acid?
The molecular formula of 4-Benzhydrylthiophene-3-carboxylic acid is C18H14O2S.
What is the molecular weight of 4-Benzhydrylthiophene-3-carboxylic acid?
The molecular weight of 4-Benzhydrylthiophene-3-carboxylic acid is 294.07 g/mol.
Where can I buy 4-Benzhydrylthiophene-3-carboxylic acid?
You can request a quote for 4-Benzhydrylthiophene-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzhydrylthiophene-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzhydrylthiophene-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.