4-Amino-2-(3-benzylthioureido)-4-oxobutanoic acid
TL;DR: 4-Amino-2-(3-benzylthioureido)-4-oxobutanoic acid (CAS 1396967-07-9) is a chemical compound with molecular formula C12H15N3O3S and molecular weight 281.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-2-(benzylcarbamothioylamino)-4-oxobutanoic acid
Also Known As: N~2~-(benzylcarbamothioyl)asparagine, BAS 01076594, 2-(3-Benzyl-thioureido)-succinamic acid, N~2~-[(benzylamino)carbonothioyl]asparagine, 4-amino-2-(3-benzylthioureido)-4-oxobutanoic acid
| Molecular Formula | C12H15N3O3S |
|---|---|
| Molecular Weight | 281.08 g/mol |
| LogP | -0.0207 |
| Topological Polar Surface Area | 104.45 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 281.0834 |
| Heavy Atoms | 19 |
| Complexity | 464.54724 |
Chemical Identifiers
| CAS Number | 1396967-07-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=S)NC(CC(=O)N)C(=O)O |
Product Overview
4-Amino-2-(3-benzylthioureido)-4-oxobutanoic acid (CAS 1396967-07-9), with molecular formula C12H15N3O3S and molecular weight 281.08 g/mol. IUPAC: 4-amino-2-(benzylcarbamothioylamino)-4-oxobutanoic acid.
Chemical Property Profile of 4-Amino-2-(3-benzylthioureido)-4-oxobutanoic acid
Property Insights of 4-Amino-2-(3-benzylthioureido)-4-oxobutanoic acid
The XLogP value of -0.0207 indicates that 4-Amino-2-(3-benzylthioureido)-4-oxobutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-2-(3-benzylthioureido)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-Amino-2-(3-benzylthioureido)-4-oxobutanoic acid has 4 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-Amino-2-(3-benzylthioureido)-4-oxobutanoic acid?
The CAS number of 4-Amino-2-(3-benzylthioureido)-4-oxobutanoic acid is 1396967-07-9.
What is the molecular formula of 4-Amino-2-(3-benzylthioureido)-4-oxobutanoic acid?
The molecular formula of 4-Amino-2-(3-benzylthioureido)-4-oxobutanoic acid is C12H15N3O3S.
What is the molecular weight of 4-Amino-2-(3-benzylthioureido)-4-oxobutanoic acid?
The molecular weight of 4-Amino-2-(3-benzylthioureido)-4-oxobutanoic acid is 281.08 g/mol.
Where can I buy 4-Amino-2-(3-benzylthioureido)-4-oxobutanoic acid?
You can request a quote for 4-Amino-2-(3-benzylthioureido)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-2-(3-benzylthioureido)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-2-(3-benzylthioureido)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.