PHENETHYL 3-HYDROXYBENZOATE
TL;DR: PHENETHYL 3-HYDROXYBENZOATE (CAS 99287-97-5) is a chemical compound with molecular formula C18H16N2O3S and molecular weight 340.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2,3-dimethoxyphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
Also Known As: PHENETHYL 3-HYDROXYBENZOATE, (5E)-5-(2,3-dimethoxybenzylidene)-2-mercapto-3-phenyl-3,5-dihydro-4H-imidazol-4-one, 5-[(2,3-dimethoxyphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one, 5-(2,3-Dimethoxybenzylidene)-3-phenyl-2-thioxoimidazolidin-4-one
| Molecular Formula | C18H16N2O3S |
|---|---|
| Molecular Weight | 340.09 g/mol |
| LogP | 2.966 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.08817 |
| Heavy Atoms | 24 |
| Complexity | 818.2685 |
Chemical Identifiers
| CAS Number | 99287-97-5 |
|---|---|
| SMILES | COC1=CC=CC(=C1OC)C=C2C(=O)N(C(=S)N2)C3=CC=CC=C3 |
Product Overview
PHENETHYL 3-HYDROXYBENZOATE (CAS 99287-97-5), with molecular formula C18H16N2O3S and molecular weight 340.09 g/mol. IUPAC: 5-[(2,3-dimethoxyphenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of PHENETHYL 3-HYDROXYBENZOATE
Property Insights of PHENETHYL 3-HYDROXYBENZOATE
The XLogP value of 2.966 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PHENETHYL 3-HYDROXYBENZOATE. With a topological polar surface area (TPSA) of 50.8 Ų, PHENETHYL 3-HYDROXYBENZOATE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, PHENETHYL 3-HYDROXYBENZOATE has 1 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 PHENETHYL 3-HYDROXYBENZOATE?
The CAS number of PHENETHYL 3-HYDROXYBENZOATE is 99287-97-5.
What is the molecular formula of PHENETHYL 3-HYDROXYBENZOATE?
The molecular formula of PHENETHYL 3-HYDROXYBENZOATE is C18H16N2O3S.
What is the molecular weight of PHENETHYL 3-HYDROXYBENZOATE?
The molecular weight of PHENETHYL 3-HYDROXYBENZOATE is 340.09 g/mol.
Where can I buy PHENETHYL 3-HYDROXYBENZOATE?
You can request a quote for PHENETHYL 3-HYDROXYBENZOATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PHENETHYL 3-HYDROXYBENZOATE?
Yes, KEHONG BIO provides custom synthesis services for PHENETHYL 3-HYDROXYBENZOATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.