3-(Benzyloxy)-5-(benzylsulfanyl)-1,2-thiazole-4-carbonitrile
TL;DR: 3-(Benzyloxy)-5-(benzylsulfanyl)-1,2-thiazole-4-carbonitrile (CAS 4886-24-2) is a chemical compound with molecular formula C18H14N2OS2 and molecular weight 338.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzylsulfanyl-3-phenylmethoxy-1,2-thiazole-4-carbonitrile
Also Known As: 3-(benzyloxy)-5-(benzylsulfanyl)-1,2-thiazole-4-carbonitrile, A3698/0156894, 5-benzylsulfanyl-3-phenylmethoxy-1,2-thiazole-4-carbonitrile, 3-(BENZYLOXY)-5-(BENZYLSULFANYL)-4-ISOTHIAZOLECARBONITRILE
| Molecular Formula | C18H14N2OS2 |
|---|---|
| Molecular Weight | 338.05 g/mol |
| LogP | 4.88608 |
| Topological Polar Surface Area | 45.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 338.05475 |
| Heavy Atoms | 23 |
| Complexity | 733.89386 |
Chemical Identifiers
| CAS Number | 4886-24-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=NSC(=C2C#N)SCC3=CC=CC=C3 |
Product Overview
3-(Benzyloxy)-5-(benzylsulfanyl)-1,2-thiazole-4-carbonitrile (CAS 4886-24-2), with molecular formula C18H14N2OS2 and molecular weight 338.05 g/mol. IUPAC: 5-benzylsulfanyl-3-phenylmethoxy-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 3-(Benzyloxy)-5-(benzylsulfanyl)-1,2-thiazole-4-carbonitrile
Property Insights of 3-(Benzyloxy)-5-(benzylsulfanyl)-1,2-thiazole-4-carbonitrile
The XLogP value of 4.88608 indicates that 3-(Benzyloxy)-5-(benzylsulfanyl)-1,2-thiazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.91 Ų, 3-(Benzyloxy)-5-(benzylsulfanyl)-1,2-thiazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Benzyloxy)-5-(benzylsulfanyl)-1,2-thiazole-4-carbonitrile has 0 hydrogen bond donor(s) and 5 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 3-(Benzyloxy)-5-(benzylsulfanyl)-1,2-thiazole-4-carbonitrile?
The CAS number of 3-(Benzyloxy)-5-(benzylsulfanyl)-1,2-thiazole-4-carbonitrile is 4886-24-2.
What is the molecular formula of 3-(Benzyloxy)-5-(benzylsulfanyl)-1,2-thiazole-4-carbonitrile?
The molecular formula of 3-(Benzyloxy)-5-(benzylsulfanyl)-1,2-thiazole-4-carbonitrile is C18H14N2OS2.
What is the molecular weight of 3-(Benzyloxy)-5-(benzylsulfanyl)-1,2-thiazole-4-carbonitrile?
The molecular weight of 3-(Benzyloxy)-5-(benzylsulfanyl)-1,2-thiazole-4-carbonitrile is 338.05 g/mol.
Where can I buy 3-(Benzyloxy)-5-(benzylsulfanyl)-1,2-thiazole-4-carbonitrile?
You can request a quote for 3-(Benzyloxy)-5-(benzylsulfanyl)-1,2-thiazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Benzyloxy)-5-(benzylsulfanyl)-1,2-thiazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Benzyloxy)-5-(benzylsulfanyl)-1,2-thiazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.