5-(4-Isothiocyanatophenyl)-1,3-oxazole
TL;DR: 5-(4-Isothiocyanatophenyl)-1,3-oxazole (CAS 321309-41-5) is a chemical compound with molecular formula C10H6N2OS and molecular weight 202.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-isothiocyanatophenyl)-1,3-oxazole
Also Known As: 5-(4-isothiocyanatophenyl)-1,3-oxazole, 4-(1,3-oxazol-5-yl)phenyl isothiocyanate, 4- PHENYLISOTHIOCYANATE, 4-(1,3-oxazol-5-yl)phenylisothiocyanate, 5-(4-Isothiocyanatophenyl)oxazole
| Molecular Formula | C10H6N2OS |
|---|---|
| Molecular Weight | 202.02 g/mol |
| LogP | 3.0759 |
| Topological Polar Surface Area | 38.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.02008 |
| Heavy Atoms | 14 |
| Complexity | 455.37704 |
Chemical Identifiers
| CAS Number | 321309-41-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CN=CO2)N=C=S |
Product Overview
5-(4-Isothiocyanatophenyl)-1,3-oxazole (CAS 321309-41-5), with molecular formula C10H6N2OS and molecular weight 202.02 g/mol. IUPAC: 5-(4-isothiocyanatophenyl)-1,3-oxazole.
Chemical Property Profile of 5-(4-Isothiocyanatophenyl)-1,3-oxazole
Property Insights of 5-(4-Isothiocyanatophenyl)-1,3-oxazole
The XLogP value of 3.0759 indicates that 5-(4-Isothiocyanatophenyl)-1,3-oxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.39 Ų, 5-(4-Isothiocyanatophenyl)-1,3-oxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Isothiocyanatophenyl)-1,3-oxazole has 0 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 5-(4-Isothiocyanatophenyl)-1,3-oxazole?
The CAS number of 5-(4-Isothiocyanatophenyl)-1,3-oxazole is 321309-41-5.
What is the molecular formula of 5-(4-Isothiocyanatophenyl)-1,3-oxazole?
The molecular formula of 5-(4-Isothiocyanatophenyl)-1,3-oxazole is C10H6N2OS.
What is the molecular weight of 5-(4-Isothiocyanatophenyl)-1,3-oxazole?
The molecular weight of 5-(4-Isothiocyanatophenyl)-1,3-oxazole is 202.02 g/mol.
Where can I buy 5-(4-Isothiocyanatophenyl)-1,3-oxazole?
You can request a quote for 5-(4-Isothiocyanatophenyl)-1,3-oxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Isothiocyanatophenyl)-1,3-oxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Isothiocyanatophenyl)-1,3-oxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.