![4-[[3-(Phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid structure](/static/products/5301/530137-66-7.webp)
4-[[3-(Phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid
TL;DR: 4-[[3-(Phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid (CAS 530137-66-7) is a chemical compound with molecular formula C22H18N2O4S and molecular weight 406.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid
Also Known As: 4-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid, 4-[({[3-(phenoxymethyl)phenyl]carbonyl}carbamothioyl)amino]benzoic acid, 4-[({[3-(phenoxymethyl)benzoyl]amino}carbonothioyl)amino]benzoic acid, 4-({[3-(Phenoxymethyl)benzoyl]carbamothioyl}amino)benzoic acid, 4-[[[[3-(PHENOXYMETHYL)BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
| Molecular Formula | C22H18N2O4S |
|---|---|
| Molecular Weight | 406.10 g/mol |
| LogP | 4.0906 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.09872 |
| Heavy Atoms | 29 |
| Complexity | 1020.49695 |
Chemical Identifiers
| CAS Number | 530137-66-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC2=CC(=CC=C2)C(=O)NC(=S)NC3=CC=C(C=C3)C(=O)O |
Product Overview
4-[[3-(Phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid (CAS 530137-66-7), with molecular formula C22H18N2O4S and molecular weight 406.10 g/mol. IUPAC: 4-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 4-[[3-(Phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid
Property Insights of 4-[[3-(Phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid
The XLogP value of 4.0906 indicates that 4-[[3-(Phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[3-(Phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid. Following Lipinski's Rule of Five, 4-[[3-(Phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid has 3 hydrogen bond donor(s) and 4 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-[[3-(Phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid?
The CAS number of 4-[[3-(Phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid is 530137-66-7.
What is the molecular formula of 4-[[3-(Phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid?
The molecular formula of 4-[[3-(Phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid is C22H18N2O4S.
What is the molecular weight of 4-[[3-(Phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid?
The molecular weight of 4-[[3-(Phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid is 406.10 g/mol.
Where can I buy 4-[[3-(Phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid?
You can request a quote for 4-[[3-(Phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[3-(Phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[3-(Phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.