![3-[({[3-(Benzyloxy)phenyl]carbonyl}carbamothioyl)amino]benzoic acid structure](/static/products/799/799820-24-9.png)
3-[({[3-(Benzyloxy)phenyl]carbonyl}carbamothioyl)amino]benzoic acid
TL;DR: 3-[({[3-(Benzyloxy)phenyl]carbonyl}carbamothioyl)amino]benzoic acid (CAS 799820-24-9) 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.
3-[(3-phenylmethoxybenzoyl)carbamothioylamino]benzoic acid
Also Known As: 3-(3-(3-(benzyloxy)benzoyl)thioureido)benzoic acid, 3-[(3-phenylmethoxybenzoyl)carbamothioylamino]benzoic acid, 3-[(3-phenylmethoxybenzoyl)thiocarbamoylamino]benzoic Acid, 3-[({[3-(benzyloxy)phenyl]carbonyl}carbamothioyl)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 | 1037.747 |
Chemical Identifiers
| CAS Number | 799820-24-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=CC(=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C(=O)O |
Product Overview
3-[({[3-(Benzyloxy)phenyl]carbonyl}carbamothioyl)amino]benzoic acid (CAS 799820-24-9), with molecular formula C22H18N2O4S and molecular weight 406.10 g/mol. IUPAC: 3-[(3-phenylmethoxybenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 3-[({[3-(Benzyloxy)phenyl]carbonyl}carbamothioyl)amino]benzoic acid
Property Insights of 3-[({[3-(Benzyloxy)phenyl]carbonyl}carbamothioyl)amino]benzoic acid
The XLogP value of 4.0906 indicates that 3-[({[3-(Benzyloxy)phenyl]carbonyl}carbamothioyl)amino]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 3-[({[3-(Benzyloxy)phenyl]carbonyl}carbamothioyl)amino]benzoic acid. Following Lipinski's Rule of Five, 3-[({[3-(Benzyloxy)phenyl]carbonyl}carbamothioyl)amino]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 3-[({[3-(Benzyloxy)phenyl]carbonyl}carbamothioyl)amino]benzoic acid?
The CAS number of 3-[({[3-(Benzyloxy)phenyl]carbonyl}carbamothioyl)amino]benzoic acid is 799820-24-9.
What is the molecular formula of 3-[({[3-(Benzyloxy)phenyl]carbonyl}carbamothioyl)amino]benzoic acid?
The molecular formula of 3-[({[3-(Benzyloxy)phenyl]carbonyl}carbamothioyl)amino]benzoic acid is C22H18N2O4S.
What is the molecular weight of 3-[({[3-(Benzyloxy)phenyl]carbonyl}carbamothioyl)amino]benzoic acid?
The molecular weight of 3-[({[3-(Benzyloxy)phenyl]carbonyl}carbamothioyl)amino]benzoic acid is 406.10 g/mol.
Where can I buy 3-[({[3-(Benzyloxy)phenyl]carbonyl}carbamothioyl)amino]benzoic acid?
You can request a quote for 3-[({[3-(Benzyloxy)phenyl]carbonyl}carbamothioyl)amino]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-(Benzyloxy)phenyl]carbonyl}carbamothioyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[({[3-(Benzyloxy)phenyl]carbonyl}carbamothioyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.