4-(Carbamothioylhydrazinylidene)-4-phenylbutanoic acid
TL;DR: 4-(Carbamothioylhydrazinylidene)-4-phenylbutanoic acid (CAS 18507-28-3) is a chemical compound with molecular formula C11H13N3O2S and molecular weight 251.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(carbamothioylhydrazinylidene)-4-phenylbutanoic acid
Also Known As: (4E)-4-(carbamothioylhydrazinylidene)-4-phenylbutanoic acid
| Molecular Formula | C11H13N3O2S |
|---|---|
| Molecular Weight | 251.07 g/mol |
| LogP | 1.0887 |
| Topological Polar Surface Area | 87.71 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.07285 |
| Heavy Atoms | 17 |
| Complexity | 431.6025 |
Chemical Identifiers
| CAS Number | 18507-28-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=NNC(=S)N)CCC(=O)O |
Product Overview
4-(Carbamothioylhydrazinylidene)-4-phenylbutanoic acid (CAS 18507-28-3), with molecular formula C11H13N3O2S and molecular weight 251.07 g/mol. IUPAC: 4-(carbamothioylhydrazinylidene)-4-phenylbutanoic acid.
Chemical Property Profile of 4-(Carbamothioylhydrazinylidene)-4-phenylbutanoic acid
Property Insights of 4-(Carbamothioylhydrazinylidene)-4-phenylbutanoic acid
The XLogP value of 1.0887 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Carbamothioylhydrazinylidene)-4-phenylbutanoic acid. The TPSA of 87.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Carbamothioylhydrazinylidene)-4-phenylbutanoic acid. Following Lipinski's Rule of Five, 4-(Carbamothioylhydrazinylidene)-4-phenylbutanoic acid has 3 hydrogen bond donor(s) and 3 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 4-(Carbamothioylhydrazinylidene)-4-phenylbutanoic acid?
The CAS number of 4-(Carbamothioylhydrazinylidene)-4-phenylbutanoic acid is 18507-28-3.
What is the molecular formula of 4-(Carbamothioylhydrazinylidene)-4-phenylbutanoic acid?
The molecular formula of 4-(Carbamothioylhydrazinylidene)-4-phenylbutanoic acid is C11H13N3O2S.
What is the molecular weight of 4-(Carbamothioylhydrazinylidene)-4-phenylbutanoic acid?
The molecular weight of 4-(Carbamothioylhydrazinylidene)-4-phenylbutanoic acid is 251.07 g/mol.
Where can I buy 4-(Carbamothioylhydrazinylidene)-4-phenylbutanoic acid?
You can request a quote for 4-(Carbamothioylhydrazinylidene)-4-phenylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Carbamothioylhydrazinylidene)-4-phenylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Carbamothioylhydrazinylidene)-4-phenylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.