Phenylthiohydantoin histidine)
TL;DR: Phenylthiohydantoin histidine) (CAS 29635-98-1) is a chemical compound with molecular formula C13H12N4OS and molecular weight 272.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S)-5-(1H-imidazol-5-ylmethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
Also Known As: PHENYLTHIOHYDANTOIN HISTIDINE), (5S)-5-(1H-imidazol-5-ylmethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one, (S)-5-((1H-imidazol-4-yl)methyl)-3-phenyl-2-thioxoimidazolidin-4-one, (5S)-5-[(1H-imidazol-4-yl)methyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one, 4-Imidazolidinone, 5-(1H-imidazol-4-ylmethyl)-3-phenyl-2-thioxo-, (5S)-
| Molecular Formula | C13H12N4OS |
|---|---|
| Molecular Weight | 272.07 g/mol |
| LogP | 1.2421 |
| Topological Polar Surface Area | 61.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.07318 |
| Heavy Atoms | 19 |
| Complexity | 596.3705 |
Chemical Identifiers
| CAS Number | 29635-98-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)[C@@H](NC2=S)CC3=CN=CN3 |
Product Overview
Phenylthiohydantoin histidine) (CAS 29635-98-1), with molecular formula C13H12N4OS and molecular weight 272.07 g/mol. IUPAC: (5S)-5-(1H-imidazol-5-ylmethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of Phenylthiohydantoin histidine)
Property Insights of Phenylthiohydantoin histidine)
The XLogP value of 1.2421 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylthiohydantoin histidine). The TPSA of 61.02 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenylthiohydantoin histidine). Following Lipinski's Rule of Five, Phenylthiohydantoin histidine) 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 Phenylthiohydantoin histidine)?
The CAS number of Phenylthiohydantoin histidine) is 29635-98-1.
What is the molecular formula of Phenylthiohydantoin histidine)?
The molecular formula of Phenylthiohydantoin histidine) is C13H12N4OS.
What is the molecular weight of Phenylthiohydantoin histidine)?
The molecular weight of Phenylthiohydantoin histidine) is 272.07 g/mol.
Where can I buy Phenylthiohydantoin histidine)?
You can request a quote for Phenylthiohydantoin histidine) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylthiohydantoin histidine)?
Yes, KEHONG BIO provides custom synthesis services for Phenylthiohydantoin histidine) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.