1,3,4-Oxadiazole-2(3H)-thione, 5-((4-(2-benzoxazolyl)phenoxy)methyl)-
TL;DR: 1,3,4-Oxadiazole-2(3H)-thione, 5-((4-(2-benzoxazolyl)phenoxy)methyl)- (CAS 100476-50-4) is a chemical compound with molecular formula C16H11N3O3S and molecular weight 325.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[4-(1,3-benzoxazol-2-yl)phenoxy]methyl]-3H-1,3,4-oxadiazole-2-thione
Also Known As: 2-((p-(2-Benzoxazolyl)phenoxy)methyl)-5-mercaptooxadiazole, 1,3,4-OXADIAZOLE-2(3H)-THIONE, 5-((4-(2-BENZOXAZOLYL)PHENOXY)METHYL)-, 5-((4-(2-Benzoxazolyl)phenoxy)methyl)-1,3,4-oxadiazole-2(3H)-thione, 2-<2'-(benzoxazolyl)phenoxymethyl>-5-mercaptooxadiazole, 5-[[4-(1,3-benzoxazol-2-yl)phenoxy]methyl]-3H-1,3,4-oxadiazole-2-thione
| Molecular Formula | C16H11N3O3S |
|---|---|
| Molecular Weight | 325.05 g/mol |
| LogP | 4.11939 |
| Topological Polar Surface Area | 77.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.05212 |
| Heavy Atoms | 23 |
| Complexity | 968.0227 |
Chemical Identifiers
| CAS Number | 100476-50-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)OCC4=NNC(=S)O4 |
Product Overview
1,3,4-Oxadiazole-2(3H)-thione, 5-((4-(2-benzoxazolyl)phenoxy)methyl)- (CAS 100476-50-4), with molecular formula C16H11N3O3S and molecular weight 325.05 g/mol. IUPAC: 5-[[4-(1,3-benzoxazol-2-yl)phenoxy]methyl]-3H-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of 1,3,4-Oxadiazole-2(3H)-thione, 5-((4-(2-benzoxazolyl)phenoxy)methyl)-
Property Insights of 1,3,4-Oxadiazole-2(3H)-thione, 5-((4-(2-benzoxazolyl)phenoxy)methyl)-
The XLogP value of 4.11939 indicates that 1,3,4-Oxadiazole-2(3H)-thione, 5-((4-(2-benzoxazolyl)phenoxy)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,4-Oxadiazole-2(3H)-thione, 5-((4-(2-benzoxazolyl)phenoxy)methyl)-. Following Lipinski's Rule of Five, 1,3,4-Oxadiazole-2(3H)-thione, 5-((4-(2-benzoxazolyl)phenoxy)methyl)- has 1 hydrogen bond donor(s) and 6 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 1,3,4-Oxadiazole-2(3H)-thione, 5-((4-(2-benzoxazolyl)phenoxy)methyl)-?
The CAS number of 1,3,4-Oxadiazole-2(3H)-thione, 5-((4-(2-benzoxazolyl)phenoxy)methyl)- is 100476-50-4.
What is the molecular formula of 1,3,4-Oxadiazole-2(3H)-thione, 5-((4-(2-benzoxazolyl)phenoxy)methyl)-?
The molecular formula of 1,3,4-Oxadiazole-2(3H)-thione, 5-((4-(2-benzoxazolyl)phenoxy)methyl)- is C16H11N3O3S.
What is the molecular weight of 1,3,4-Oxadiazole-2(3H)-thione, 5-((4-(2-benzoxazolyl)phenoxy)methyl)-?
The molecular weight of 1,3,4-Oxadiazole-2(3H)-thione, 5-((4-(2-benzoxazolyl)phenoxy)methyl)- is 325.05 g/mol.
Where can I buy 1,3,4-Oxadiazole-2(3H)-thione, 5-((4-(2-benzoxazolyl)phenoxy)methyl)-?
You can request a quote for 1,3,4-Oxadiazole-2(3H)-thione, 5-((4-(2-benzoxazolyl)phenoxy)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4-Oxadiazole-2(3H)-thione, 5-((4-(2-benzoxazolyl)phenoxy)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-Oxadiazole-2(3H)-thione, 5-((4-(2-benzoxazolyl)phenoxy)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.