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Propyl 4-[(2-nitrobenzoyl)carbamothioylamino]benzoate
TL;DR: Propyl 4-[(2-nitrobenzoyl)carbamothioylamino]benzoate (CAS 428461-78-3) is a chemical compound with molecular formula C18H17N3O5S and molecular weight 387.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 4-[(2-nitrobenzoyl)carbamothioylamino]benzoate
Also Known As: AB00108063-01, propyl 4-(3-(2-nitrobenzoyl)thioureido)benzoate, propyl 4-[(2-nitrobenzoyl)carbamothioylamino]benzoate, AN-329/41341587, propyl 4-{[({2-nitrobenzoyl}amino)carbothioyl]amino}benzoate
| Molecular Formula | C18H17N3O5S |
|---|---|
| Molecular Weight | 387.09 g/mol |
| LogP | 3.2884 |
| Topological Polar Surface Area | 110.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.0889 |
| Heavy Atoms | 27 |
| Complexity | 867.5557 |
Chemical Identifiers
| CAS Number | 428461-78-3 |
|---|---|
| SMILES | CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-] |
Product Overview
Propyl 4-[(2-nitrobenzoyl)carbamothioylamino]benzoate (CAS 428461-78-3), with molecular formula C18H17N3O5S and molecular weight 387.09 g/mol. IUPAC: propyl 4-[(2-nitrobenzoyl)carbamothioylamino]benzoate.
Chemical Property Profile of Propyl 4-[(2-nitrobenzoyl)carbamothioylamino]benzoate
Property Insights of Propyl 4-[(2-nitrobenzoyl)carbamothioylamino]benzoate
The XLogP value of 3.2884 indicates that Propyl 4-[(2-nitrobenzoyl)carbamothioylamino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.57 Ų falls within the moderate polarity range, balancing permeability and solubility for Propyl 4-[(2-nitrobenzoyl)carbamothioylamino]benzoate. Following Lipinski's Rule of Five, Propyl 4-[(2-nitrobenzoyl)carbamothioylamino]benzoate has 2 hydrogen bond donor(s) and 6 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-nitrobenzoyl)carbamothioylamino]benzoate?
The CAS number of Propyl 4-[(2-nitrobenzoyl)carbamothioylamino]benzoate is 428461-78-3.
What is the molecular formula of Propyl 4-[(2-nitrobenzoyl)carbamothioylamino]benzoate?
The molecular formula of Propyl 4-[(2-nitrobenzoyl)carbamothioylamino]benzoate is C18H17N3O5S.
What is the molecular weight of Propyl 4-[(2-nitrobenzoyl)carbamothioylamino]benzoate?
The molecular weight of Propyl 4-[(2-nitrobenzoyl)carbamothioylamino]benzoate is 387.09 g/mol.
Where can I buy Propyl 4-[(2-nitrobenzoyl)carbamothioylamino]benzoate?
You can request a quote for Propyl 4-[(2-nitrobenzoyl)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-nitrobenzoyl)carbamothioylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 4-[(2-nitrobenzoyl)carbamothioylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.