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N-[[(benzoylcarbamothioylamino)carbamoylamino]carbamothioyl]benzamide
TL;DR: N-[[(benzoylcarbamothioylamino)carbamoylamino]carbamothioyl]benzamide (CAS 33901-49-4) is a chemical compound with molecular formula C17H16N6O3S2 and molecular weight 416.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[(benzoylcarbamothioylamino)carbamoylamino]carbamothioyl]benzamide
Also Known As: AE-484/32882018, J2.385.749I, 1,3-di{[(phenylformamido)methanethioyl]amino}urea, 2,2'-Bis[(benzoylamino)thioxomethyl]carbonic dihydrazide, N-[[(benzoylcarbamothioylamino)carbamoylamino]carbamothioyl]benzamide
| Molecular Formula | C17H16N6O3S2 |
|---|---|
| Molecular Weight | 416.07 g/mol |
| LogP | 0.7246 |
| Topological Polar Surface Area | 123.39 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 416.07254 |
| Heavy Atoms | 28 |
| Complexity | 805.47614 |
Chemical Identifiers
| CAS Number | 33901-49-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)NNC(=S)NC(=O)C2=CC=CC=C2 |
Product Overview
N-[[(benzoylcarbamothioylamino)carbamoylamino]carbamothioyl]benzamide (CAS 33901-49-4), with molecular formula C17H16N6O3S2 and molecular weight 416.07 g/mol. IUPAC: N-[[(benzoylcarbamothioylamino)carbamoylamino]carbamothioyl]benzamide.
Chemical Property Profile of N-[[(benzoylcarbamothioylamino)carbamoylamino]carbamothioyl]benzamide
Property Insights of N-[[(benzoylcarbamothioylamino)carbamoylamino]carbamothioyl]benzamide
The XLogP value of 0.7246 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[[(benzoylcarbamothioylamino)carbamoylamino]carbamothioyl]benzamide. The TPSA of 123.39 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[(benzoylcarbamothioylamino)carbamoylamino]carbamothioyl]benzamide. Following Lipinski's Rule of Five, N-[[(benzoylcarbamothioylamino)carbamoylamino]carbamothioyl]benzamide has 6 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[[(benzoylcarbamothioylamino)carbamoylamino]carbamothioyl]benzamide?
The CAS number of N-[[(benzoylcarbamothioylamino)carbamoylamino]carbamothioyl]benzamide is 33901-49-4.
What is the molecular formula of N-[[(benzoylcarbamothioylamino)carbamoylamino]carbamothioyl]benzamide?
The molecular formula of N-[[(benzoylcarbamothioylamino)carbamoylamino]carbamothioyl]benzamide is C17H16N6O3S2.
What is the molecular weight of N-[[(benzoylcarbamothioylamino)carbamoylamino]carbamothioyl]benzamide?
The molecular weight of N-[[(benzoylcarbamothioylamino)carbamoylamino]carbamothioyl]benzamide is 416.07 g/mol.
Where can I buy N-[[(benzoylcarbamothioylamino)carbamoylamino]carbamothioyl]benzamide?
You can request a quote for N-[[(benzoylcarbamothioylamino)carbamoylamino]carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[(benzoylcarbamothioylamino)carbamoylamino]carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[(benzoylcarbamothioylamino)carbamoylamino]carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.