5-(4-Aminobutyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
TL;DR: 5-(4-Aminobutyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one (CAS 5789-16-2) is a chemical compound with molecular formula C13H17N3OS and molecular weight 263.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-aminobutyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
Also Known As: PTH-Lysine, alpha-PTH-DL-lysine, L-Histidine,3-phosphono, Phenylthiohydantoin lysine, PHENYLTHIOHYDANTOIN LYSINE)
| Molecular Formula | C13H17N3OS |
|---|---|
| Molecular Weight | 263.11 g/mol |
| LogP | 1.4053 |
| Topological Polar Surface Area | 58.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 263.10922 |
| Heavy Atoms | 18 |
| Complexity | 435.1223 |
Chemical Identifiers
| CAS Number | 5789-16-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C(NC2=S)CCCCN |
Product Overview
5-(4-Aminobutyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one (CAS 5789-16-2), with molecular formula C13H17N3OS and molecular weight 263.11 g/mol. IUPAC: 5-(4-aminobutyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of 5-(4-Aminobutyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
Property Insights of 5-(4-Aminobutyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
The XLogP value of 1.4053 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Aminobutyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one. With a topological polar surface area (TPSA) of 58.36 Ų, 5-(4-Aminobutyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Aminobutyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one has 2 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 5-(4-Aminobutyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The CAS number of 5-(4-Aminobutyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one is 5789-16-2.
What is the molecular formula of 5-(4-Aminobutyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The molecular formula of 5-(4-Aminobutyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one is C13H17N3OS.
What is the molecular weight of 5-(4-Aminobutyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The molecular weight of 5-(4-Aminobutyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one is 263.11 g/mol.
Where can I buy 5-(4-Aminobutyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one?
You can request a quote for 5-(4-Aminobutyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Aminobutyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Aminobutyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.