(Z)-3-(3-(3-bromophenyl)-4-((2-carbamothioylhydrazono)methyl)-1H-pyrazol-1-yl)propanoic acid
TL;DR: (Z)-3-(3-(3-bromophenyl)-4-((2-carbamothioylhydrazono)methyl)-1H-pyrazol-1-yl)propanoic acid (CAS 1007543-38-5) is a chemical compound with molecular formula C14H14BrN5O2S and molecular weight 395.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(3-bromophenyl)-4-[(Z)-(carbamothioylhydrazinylidene)methyl]pyrazol-1-yl]propanoic acid
Also Known As: (Z)-3-(3-(3-bromophenyl)-4-((2-carbamothioylhydrazono)methyl)-1H-pyrazol-1-yl)propanoic acid, F1218-0355, 3-[3-(3-bromophenyl)-4-[(Z)-(carbamothioylhydrazinylidene)methyl]pyrazol-1-yl]propanoic acid, 3-[3-(3-bromophenyl)-4-[(1Z)-[(carbamothioylamino)imino]methyl]-1H-pyrazol-1-yl]propanoic acid
| Molecular Formula | C14H14BrN5O2S |
|---|---|
| Molecular Weight | 395.01 g/mol |
| LogP | 1.9544 |
| Topological Polar Surface Area | 105.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.00516 |
| Heavy Atoms | 23 |
| Complexity | 759.3759 |
Chemical Identifiers
| CAS Number | 1007543-38-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)C2=NN(C=C2/C=N\NC(=S)N)CCC(=O)O |
Product Overview
(Z)-3-(3-(3-bromophenyl)-4-((2-carbamothioylhydrazono)methyl)-1H-pyrazol-1-yl)propanoic acid (CAS 1007543-38-5), with molecular formula C14H14BrN5O2S and molecular weight 395.01 g/mol. IUPAC: 3-[3-(3-bromophenyl)-4-[(Z)-(carbamothioylhydrazinylidene)methyl]pyrazol-1-yl]propanoic acid.
Chemical Property Profile of (Z)-3-(3-(3-bromophenyl)-4-((2-carbamothioylhydrazono)methyl)-1H-pyrazol-1-yl)propanoic acid
Property Insights of (Z)-3-(3-(3-bromophenyl)-4-((2-carbamothioylhydrazono)methyl)-1H-pyrazol-1-yl)propanoic acid
The XLogP value of 1.9544 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-3-(3-(3-bromophenyl)-4-((2-carbamothioylhydrazono)methyl)-1H-pyrazol-1-yl)propanoic acid. The TPSA of 105.53 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-(3-(3-bromophenyl)-4-((2-carbamothioylhydrazono)methyl)-1H-pyrazol-1-yl)propanoic acid. Following Lipinski's Rule of Five, (Z)-3-(3-(3-bromophenyl)-4-((2-carbamothioylhydrazono)methyl)-1H-pyrazol-1-yl)propanoic acid has 3 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 (Z)-3-(3-(3-bromophenyl)-4-((2-carbamothioylhydrazono)methyl)-1H-pyrazol-1-yl)propanoic acid?
The CAS number of (Z)-3-(3-(3-bromophenyl)-4-((2-carbamothioylhydrazono)methyl)-1H-pyrazol-1-yl)propanoic acid is 1007543-38-5.
What is the molecular formula of (Z)-3-(3-(3-bromophenyl)-4-((2-carbamothioylhydrazono)methyl)-1H-pyrazol-1-yl)propanoic acid?
The molecular formula of (Z)-3-(3-(3-bromophenyl)-4-((2-carbamothioylhydrazono)methyl)-1H-pyrazol-1-yl)propanoic acid is C14H14BrN5O2S.
What is the molecular weight of (Z)-3-(3-(3-bromophenyl)-4-((2-carbamothioylhydrazono)methyl)-1H-pyrazol-1-yl)propanoic acid?
The molecular weight of (Z)-3-(3-(3-bromophenyl)-4-((2-carbamothioylhydrazono)methyl)-1H-pyrazol-1-yl)propanoic acid is 395.01 g/mol.
Where can I buy (Z)-3-(3-(3-bromophenyl)-4-((2-carbamothioylhydrazono)methyl)-1H-pyrazol-1-yl)propanoic acid?
You can request a quote for (Z)-3-(3-(3-bromophenyl)-4-((2-carbamothioylhydrazono)methyl)-1H-pyrazol-1-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-3-(3-(3-bromophenyl)-4-((2-carbamothioylhydrazono)methyl)-1H-pyrazol-1-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-(3-(3-bromophenyl)-4-((2-carbamothioylhydrazono)methyl)-1H-pyrazol-1-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.