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Propyl 4-[(2-bromobenzoyl)carbamothioylamino]benzoate
TL;DR: Propyl 4-[(2-bromobenzoyl)carbamothioylamino]benzoate (CAS 6417-41-0) is a chemical compound with molecular formula C18H17BrN2O3S and molecular weight 420.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 4-[(2-bromobenzoyl)carbamothioylamino]benzoate
Also Known As: propyl 4-[(2-bromobenzoyl)carbamothioylamino]benzoate, AB00107330-01, propyl 4-(3-(2-bromobenzoyl)thioureido)benzoate, Propyl 4-{[(2-bromobenzoyl)carbamothioyl]amino}benzoate, propyl 4-({[(2-bromobenzoyl)amino]carbothioyl}amino)benzoate
| Molecular Formula | C18H17BrN2O3S |
|---|---|
| Molecular Weight | 420.01 g/mol |
| LogP | 4.1427 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.01434 |
| Heavy Atoms | 25 |
| Complexity | 778.14557 |
Chemical Identifiers
| CAS Number | 6417-41-0 |
|---|---|
| SMILES | CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2Br |
Product Overview
Propyl 4-[(2-bromobenzoyl)carbamothioylamino]benzoate (CAS 6417-41-0), with molecular formula C18H17BrN2O3S and molecular weight 420.01 g/mol. IUPAC: propyl 4-[(2-bromobenzoyl)carbamothioylamino]benzoate.
Chemical Property Profile of Propyl 4-[(2-bromobenzoyl)carbamothioylamino]benzoate
Property Insights of Propyl 4-[(2-bromobenzoyl)carbamothioylamino]benzoate
The XLogP value of 4.1427 indicates that Propyl 4-[(2-bromobenzoyl)carbamothioylamino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Propyl 4-[(2-bromobenzoyl)carbamothioylamino]benzoate. Following Lipinski's Rule of Five, Propyl 4-[(2-bromobenzoyl)carbamothioylamino]benzoate has 2 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 Propyl 4-[(2-bromobenzoyl)carbamothioylamino]benzoate?
The CAS number of Propyl 4-[(2-bromobenzoyl)carbamothioylamino]benzoate is 6417-41-0.
What is the molecular formula of Propyl 4-[(2-bromobenzoyl)carbamothioylamino]benzoate?
The molecular formula of Propyl 4-[(2-bromobenzoyl)carbamothioylamino]benzoate is C18H17BrN2O3S.
What is the molecular weight of Propyl 4-[(2-bromobenzoyl)carbamothioylamino]benzoate?
The molecular weight of Propyl 4-[(2-bromobenzoyl)carbamothioylamino]benzoate is 420.01 g/mol.
Where can I buy Propyl 4-[(2-bromobenzoyl)carbamothioylamino]benzoate?
You can request a quote for Propyl 4-[(2-bromobenzoyl)carbamothioylamino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 4-[(2-bromobenzoyl)carbamothioylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 4-[(2-bromobenzoyl)carbamothioylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.