![3-(3-([1,1'-Biphenyl]-4-carbonyl)thioureido)benzoic acid structure](/static/products/4339/433954-52-0.webp)
3-(3-([1,1'-Biphenyl]-4-carbonyl)thioureido)benzoic acid
TL;DR: 3-(3-([1,1'-Biphenyl]-4-carbonyl)thioureido)benzoic acid (CAS 433954-52-0) is a chemical compound with molecular formula C21H16N2O3S and molecular weight 376.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-phenylbenzoyl)carbamothioylamino]benzoic acid
Also Known As: 3-(3-([1,1'-BIPHENYL]-4-CARBONYL)THIOUREIDO)BENZOIC ACID, J3.464.453E, 3-[(4-phenylbenzoyl)carbamothioylamino]benzoic acid, 3-[(4-phenylbenzoyl)thiocarbamoylamino]benzoic Acid, 3-[3-(Biphenyl-4-carbonyl)-thioureido]-benzoic acid
| Molecular Formula | C21H16N2O3S |
|---|---|
| Molecular Weight | 376.09 g/mol |
| LogP | 4.1786 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.08817 |
| Heavy Atoms | 27 |
| Complexity | 985.82324 |
Chemical Identifiers
| CAS Number | 433954-52-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C(=O)O |
Product Overview
3-(3-([1,1'-Biphenyl]-4-carbonyl)thioureido)benzoic acid (CAS 433954-52-0), with molecular formula C21H16N2O3S and molecular weight 376.09 g/mol. IUPAC: 3-[(4-phenylbenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 3-(3-([1,1'-Biphenyl]-4-carbonyl)thioureido)benzoic acid
Property Insights of 3-(3-([1,1'-Biphenyl]-4-carbonyl)thioureido)benzoic acid
The XLogP value of 4.1786 indicates that 3-(3-([1,1'-Biphenyl]-4-carbonyl)thioureido)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-([1,1'-Biphenyl]-4-carbonyl)thioureido)benzoic acid. Following Lipinski's Rule of Five, 3-(3-([1,1'-Biphenyl]-4-carbonyl)thioureido)benzoic acid has 3 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 3-(3-([1,1'-Biphenyl]-4-carbonyl)thioureido)benzoic acid?
The CAS number of 3-(3-([1,1'-Biphenyl]-4-carbonyl)thioureido)benzoic acid is 433954-52-0.
What is the molecular formula of 3-(3-([1,1'-Biphenyl]-4-carbonyl)thioureido)benzoic acid?
The molecular formula of 3-(3-([1,1'-Biphenyl]-4-carbonyl)thioureido)benzoic acid is C21H16N2O3S.
What is the molecular weight of 3-(3-([1,1'-Biphenyl]-4-carbonyl)thioureido)benzoic acid?
The molecular weight of 3-(3-([1,1'-Biphenyl]-4-carbonyl)thioureido)benzoic acid is 376.09 g/mol.
Where can I buy 3-(3-([1,1'-Biphenyl]-4-carbonyl)thioureido)benzoic acid?
You can request a quote for 3-(3-([1,1'-Biphenyl]-4-carbonyl)thioureido)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-([1,1'-Biphenyl]-4-carbonyl)thioureido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-([1,1'-Biphenyl]-4-carbonyl)thioureido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.