2-Heptyl-5-(4-octoxyphenyl)-1,3,4-thiadiazole
TL;DR: 2-Heptyl-5-(4-octoxyphenyl)-1,3,4-thiadiazole (CAS 77477-63-5) is a chemical compound with molecular formula C23H36N2OS and molecular weight 388.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-heptyl-5-(4-octoxyphenyl)-1,3,4-thiadiazole
Also Known As: 2-heptyl-5-(4-octoxyphenyl)-1,3,4-thiadiazole, 2-heptyl-5-[4-(octyloxy)phenyl]-1,3,4-Thiadiazole, 2-heptyl-5-(4-(octyloxy)phenyl)-1,3,4-thiadiazole, F0347-4937, 2-Heptyl-5-(4-octyloxy-phenyl)-[1,3,4]thiadiazole
| Molecular Formula | C23H36N2OS |
|---|---|
| Molecular Weight | 388.25 g/mol |
| LogP | 7.4573 |
| Topological Polar Surface Area | 35.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 388.25482 |
| Heavy Atoms | 27 |
| Complexity | 609.0958 |
Chemical Identifiers
| CAS Number | 77477-63-5 |
|---|---|
| SMILES | CCCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)CCCCCCC |
Product Overview
2-Heptyl-5-(4-octoxyphenyl)-1,3,4-thiadiazole (CAS 77477-63-5), with molecular formula C23H36N2OS and molecular weight 388.25 g/mol. IUPAC: 2-heptyl-5-(4-octoxyphenyl)-1,3,4-thiadiazole.
Chemical Property Profile of 2-Heptyl-5-(4-octoxyphenyl)-1,3,4-thiadiazole
Property Insights of 2-Heptyl-5-(4-octoxyphenyl)-1,3,4-thiadiazole
The XLogP value of 7.4573 indicates that 2-Heptyl-5-(4-octoxyphenyl)-1,3,4-thiadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.01 Ų, 2-Heptyl-5-(4-octoxyphenyl)-1,3,4-thiadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Heptyl-5-(4-octoxyphenyl)-1,3,4-thiadiazole has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Heptyl-5-(4-octoxyphenyl)-1,3,4-thiadiazole?
The CAS number of 2-Heptyl-5-(4-octoxyphenyl)-1,3,4-thiadiazole is 77477-63-5.
What is the molecular formula of 2-Heptyl-5-(4-octoxyphenyl)-1,3,4-thiadiazole?
The molecular formula of 2-Heptyl-5-(4-octoxyphenyl)-1,3,4-thiadiazole is C23H36N2OS.
What is the molecular weight of 2-Heptyl-5-(4-octoxyphenyl)-1,3,4-thiadiazole?
The molecular weight of 2-Heptyl-5-(4-octoxyphenyl)-1,3,4-thiadiazole is 388.25 g/mol.
Where can I buy 2-Heptyl-5-(4-octoxyphenyl)-1,3,4-thiadiazole?
You can request a quote for 2-Heptyl-5-(4-octoxyphenyl)-1,3,4-thiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Heptyl-5-(4-octoxyphenyl)-1,3,4-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Heptyl-5-(4-octoxyphenyl)-1,3,4-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.