![2-Chloro-5-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid structure](/static/products/5369/536978-16-2.webp)
2-Chloro-5-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid
TL;DR: 2-Chloro-5-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid (CAS 536978-16-2) is a chemical compound with molecular formula C22H17ClN2O4S and molecular weight 440.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid
Also Known As: CBKinase1_002758, CBKinase1_015158, BRD-K00056308-001-01-4, 2-chloro-5-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid, 2-chloro-5-[[3-(phenoxymethyl)benzoyl]thiocarbamoylamino]benzoic Acid
| Molecular Formula | C22H17ClN2O4S |
|---|---|
| Molecular Weight | 440.06 g/mol |
| LogP | 4.744 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.05975 |
| Heavy Atoms | 30 |
| Complexity | 1089.5055 |
Chemical Identifiers
| CAS Number | 536978-16-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC2=CC(=CC=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)Cl)C(=O)O |
Product Overview
2-Chloro-5-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid (CAS 536978-16-2), with molecular formula C22H17ClN2O4S and molecular weight 440.06 g/mol. IUPAC: 2-chloro-5-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 2-Chloro-5-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid
Property Insights of 2-Chloro-5-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid
The XLogP value of 4.744 indicates that 2-Chloro-5-[[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 2-Chloro-5-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid. Following Lipinski's Rule of Five, 2-Chloro-5-[[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 2-Chloro-5-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid?
The CAS number of 2-Chloro-5-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid is 536978-16-2.
What is the molecular formula of 2-Chloro-5-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid?
The molecular formula of 2-Chloro-5-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid is C22H17ClN2O4S.
What is the molecular weight of 2-Chloro-5-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid?
The molecular weight of 2-Chloro-5-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid is 440.06 g/mol.
Where can I buy 2-Chloro-5-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid?
You can request a quote for 2-Chloro-5-[[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 2-Chloro-5-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-5-[[3-(phenoxymethyl)benzoyl]carbamothioylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.