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5-[cyclohexyl(phenyl)methyl]-3H-1,3,4-oxadiazole-2-thione
TL;DR: 5-[cyclohexyl(phenyl)methyl]-3H-1,3,4-oxadiazole-2-thione (CAS 331002-86-9) is a chemical compound with molecular formula C15H18N2OS and molecular weight 274.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[cyclohexyl(phenyl)methyl]-3H-1,3,4-oxadiazole-2-thione
Also Known As: 5-[cyclohexyl(phenyl)methyl]-3H-1,3,4-oxadiazole-2-thione, 5-(cyclohexyl(phenyl)methyl)-1,3,4-oxadiazole-2-thiol, 5-(Cyclohexyl-phenyl-methyl)-[1,3,4]oxadiazole-2-thiol, 5-[Cyclohexyl(phenyl)methyl]-1,3,4-oxadiazole-2(3H)-thione
| Molecular Formula | C15H18N2OS |
|---|---|
| Molecular Weight | 274.11 g/mol |
| LogP | 4.44439 |
| Topological Polar Surface Area | 41.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.11398 |
| Heavy Atoms | 19 |
| Complexity | 569.0864 |
Chemical Identifiers
| CAS Number | 331002-86-9 |
|---|---|
| SMILES | C1CCC(CC1)C(C2=CC=CC=C2)C3=NNC(=S)O3 |
Product Overview
5-[cyclohexyl(phenyl)methyl]-3H-1,3,4-oxadiazole-2-thione (CAS 331002-86-9), with molecular formula C15H18N2OS and molecular weight 274.11 g/mol. IUPAC: 5-[cyclohexyl(phenyl)methyl]-3H-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of 5-[cyclohexyl(phenyl)methyl]-3H-1,3,4-oxadiazole-2-thione
Property Insights of 5-[cyclohexyl(phenyl)methyl]-3H-1,3,4-oxadiazole-2-thione
The XLogP value of 4.44439 indicates that 5-[cyclohexyl(phenyl)methyl]-3H-1,3,4-oxadiazole-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.82 Ų, 5-[cyclohexyl(phenyl)methyl]-3H-1,3,4-oxadiazole-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[cyclohexyl(phenyl)methyl]-3H-1,3,4-oxadiazole-2-thione has 1 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-[cyclohexyl(phenyl)methyl]-3H-1,3,4-oxadiazole-2-thione?
The CAS number of 5-[cyclohexyl(phenyl)methyl]-3H-1,3,4-oxadiazole-2-thione is 331002-86-9.
What is the molecular formula of 5-[cyclohexyl(phenyl)methyl]-3H-1,3,4-oxadiazole-2-thione?
The molecular formula of 5-[cyclohexyl(phenyl)methyl]-3H-1,3,4-oxadiazole-2-thione is C15H18N2OS.
What is the molecular weight of 5-[cyclohexyl(phenyl)methyl]-3H-1,3,4-oxadiazole-2-thione?
The molecular weight of 5-[cyclohexyl(phenyl)methyl]-3H-1,3,4-oxadiazole-2-thione is 274.11 g/mol.
Where can I buy 5-[cyclohexyl(phenyl)methyl]-3H-1,3,4-oxadiazole-2-thione?
You can request a quote for 5-[cyclohexyl(phenyl)methyl]-3H-1,3,4-oxadiazole-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[cyclohexyl(phenyl)methyl]-3H-1,3,4-oxadiazole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-[cyclohexyl(phenyl)methyl]-3H-1,3,4-oxadiazole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.