![2-phenylethyl 4-[({2-[4-(benzoylamino)benzoyl]hydrazino}carbonothioyl)amino]-4-oxobutanoate structure](/static/products/816/816435-13-9.png)
2-phenylethyl 4-[({2-[4-(benzoylamino)benzoyl]hydrazino}carbonothioyl)amino]-4-oxobutanoate
TL;DR: 2-phenylethyl 4-[({2-[4-(benzoylamino)benzoyl]hydrazino}carbonothioyl)amino]-4-oxobutanoate (CAS 816435-13-9) is a chemical compound with molecular formula C27H26N4O5S and molecular weight 518.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 4-[[(4-benzamidobenzoyl)amino]carbamothioylamino]-4-oxobutanoate
Also Known As: 2-phenylethyl 4-[({2-[4-(benzoylamino)benzoyl]hydrazino}carbonothioyl)amino]-4-oxobutanoate, Phenethyl 3-[[(4-benzamidobenzoyl)amino]thiocarbamoylcarbamoyl]propanoate, phenethyl 4-[[(4-benzamidobenzoyl)amino]carbamothioylamino]-4-oxobutanoate, 2-phenylethyl 4-oxo-4-({[2-({4-[(phenylcarbonyl)amino]phenyl}carbonyl)hydrazinyl]carbonothioyl}amino)butanoate
| Molecular Formula | C27H26N4O5S |
|---|---|
| Molecular Weight | 518.16 g/mol |
| LogP | 3.1405 |
| Topological Polar Surface Area | 125.63 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 518.1624 |
| Heavy Atoms | 37 |
| Complexity | 1234.6709 |
Chemical Identifiers
| CAS Number | 816435-13-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3 |
Product Overview
2-phenylethyl 4-[({2-[4-(benzoylamino)benzoyl]hydrazino}carbonothioyl)amino]-4-oxobutanoate (CAS 816435-13-9), with molecular formula C27H26N4O5S and molecular weight 518.16 g/mol. IUPAC: 2-phenylethyl 4-[[(4-benzamidobenzoyl)amino]carbamothioylamino]-4-oxobutanoate.
Chemical Property Profile of 2-phenylethyl 4-[({2-[4-(benzoylamino)benzoyl]hydrazino}carbonothioyl)amino]-4-oxobutanoate
Property Insights of 2-phenylethyl 4-[({2-[4-(benzoylamino)benzoyl]hydrazino}carbonothioyl)amino]-4-oxobutanoate
The XLogP value of 3.1405 indicates that 2-phenylethyl 4-[({2-[4-(benzoylamino)benzoyl]hydrazino}carbonothioyl)amino]-4-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-phenylethyl 4-[({2-[4-(benzoylamino)benzoyl]hydrazino}carbonothioyl)amino]-4-oxobutanoate. Following Lipinski's Rule of Five, 2-phenylethyl 4-[({2-[4-(benzoylamino)benzoyl]hydrazino}carbonothioyl)amino]-4-oxobutanoate has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-phenylethyl 4-[({2-[4-(benzoylamino)benzoyl]hydrazino}carbonothioyl)amino]-4-oxobutanoate?
The CAS number of 2-phenylethyl 4-[({2-[4-(benzoylamino)benzoyl]hydrazino}carbonothioyl)amino]-4-oxobutanoate is 816435-13-9.
What is the molecular formula of 2-phenylethyl 4-[({2-[4-(benzoylamino)benzoyl]hydrazino}carbonothioyl)amino]-4-oxobutanoate?
The molecular formula of 2-phenylethyl 4-[({2-[4-(benzoylamino)benzoyl]hydrazino}carbonothioyl)amino]-4-oxobutanoate is C27H26N4O5S.
What is the molecular weight of 2-phenylethyl 4-[({2-[4-(benzoylamino)benzoyl]hydrazino}carbonothioyl)amino]-4-oxobutanoate?
The molecular weight of 2-phenylethyl 4-[({2-[4-(benzoylamino)benzoyl]hydrazino}carbonothioyl)amino]-4-oxobutanoate is 518.16 g/mol.
Where can I buy 2-phenylethyl 4-[({2-[4-(benzoylamino)benzoyl]hydrazino}carbonothioyl)amino]-4-oxobutanoate?
You can request a quote for 2-phenylethyl 4-[({2-[4-(benzoylamino)benzoyl]hydrazino}carbonothioyl)amino]-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-phenylethyl 4-[({2-[4-(benzoylamino)benzoyl]hydrazino}carbonothioyl)amino]-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-phenylethyl 4-[({2-[4-(benzoylamino)benzoyl]hydrazino}carbonothioyl)amino]-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.