(2Z)-2-(carbamothioylhydrazinylidene)-3-(2-nitrophenyl)propanoic acid
TL;DR: (2Z)-2-(carbamothioylhydrazinylidene)-3-(2-nitrophenyl)propanoic acid (CAS 95539-27-8) is a chemical compound with molecular formula C10H10N4O4S and molecular weight 282.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-(carbamothioylhydrazinylidene)-3-(2-nitrophenyl)propanoic acid
Also Known As: 2-(2-carbamothioylhydrazono)-3-(2-nitrophenyl)propanoic acid, 2-[(Aminocarbonothioyl)hydrazono]-3-(2-nitrophenyl)propanoic acid, (2Z)-2-(carbamothioylhydrazinylidene)-3-(2-nitrophenyl)propanoic acid
| Molecular Formula | C10H10N4O4S |
|---|---|
| Molecular Weight | 282.04 g/mol |
| LogP | 0.4111 |
| Topological Polar Surface Area | 130.85 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 282.04227 |
| Heavy Atoms | 19 |
| Complexity | 558.2156 |
Chemical Identifiers
| CAS Number | 95539-27-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C/C(=N/NC(=S)N)/C(=O)O)[N+](=O)[O-] |
Product Overview
(2Z)-2-(carbamothioylhydrazinylidene)-3-(2-nitrophenyl)propanoic acid (CAS 95539-27-8), with molecular formula C10H10N4O4S and molecular weight 282.04 g/mol. IUPAC: (2Z)-2-(carbamothioylhydrazinylidene)-3-(2-nitrophenyl)propanoic acid.
Chemical Property Profile of (2Z)-2-(carbamothioylhydrazinylidene)-3-(2-nitrophenyl)propanoic acid
Property Insights of (2Z)-2-(carbamothioylhydrazinylidene)-3-(2-nitrophenyl)propanoic acid
The XLogP value of 0.4111 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2Z)-2-(carbamothioylhydrazinylidene)-3-(2-nitrophenyl)propanoic acid. The TPSA of 130.85 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-2-(carbamothioylhydrazinylidene)-3-(2-nitrophenyl)propanoic acid. Following Lipinski's Rule of Five, (2Z)-2-(carbamothioylhydrazinylidene)-3-(2-nitrophenyl)propanoic acid has 3 hydrogen bond donor(s) and 5 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 (2Z)-2-(carbamothioylhydrazinylidene)-3-(2-nitrophenyl)propanoic acid?
The CAS number of (2Z)-2-(carbamothioylhydrazinylidene)-3-(2-nitrophenyl)propanoic acid is 95539-27-8.
What is the molecular formula of (2Z)-2-(carbamothioylhydrazinylidene)-3-(2-nitrophenyl)propanoic acid?
The molecular formula of (2Z)-2-(carbamothioylhydrazinylidene)-3-(2-nitrophenyl)propanoic acid is C10H10N4O4S.
What is the molecular weight of (2Z)-2-(carbamothioylhydrazinylidene)-3-(2-nitrophenyl)propanoic acid?
The molecular weight of (2Z)-2-(carbamothioylhydrazinylidene)-3-(2-nitrophenyl)propanoic acid is 282.04 g/mol.
Where can I buy (2Z)-2-(carbamothioylhydrazinylidene)-3-(2-nitrophenyl)propanoic acid?
You can request a quote for (2Z)-2-(carbamothioylhydrazinylidene)-3-(2-nitrophenyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-2-(carbamothioylhydrazinylidene)-3-(2-nitrophenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-(carbamothioylhydrazinylidene)-3-(2-nitrophenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.