5D-008
TL;DR: 5D-008 (CAS 338751-48-7) is a chemical compound with molecular formula C20H14Cl3FN4OS and molecular weight 481.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
Also Known As: 5D-008, 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine, 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine, 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-7-[1-(2,4-dichlorophenoxy)ethyl][1,2,4]triazolo[1,5-a]pyrimidine, 2-[[(2-Chloro-6-fluorophenyl)methyl]thio]-7-[1-(2,4-dichlorophenoxy)ethyl][1,2,4]triazolo[1,5-a]pyrimidine
| Molecular Formula | C20H14Cl3FN4OS |
|---|---|
| Molecular Weight | 481.99 g/mol |
| LogP | 6.6559 |
| Topological Polar Surface Area | 52.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 481.9938 |
| Heavy Atoms | 30 |
| Complexity | 1199.8538 |
Chemical Identifiers
| CAS Number | 338751-48-7 |
|---|---|
| SMILES | CC(C1=CC=NC2=NC(=NN12)SCC3=C(C=CC=C3Cl)F)OC4=C(C=C(C=C4)Cl)Cl |
Product Overview
5D-008 (CAS 338751-48-7), with molecular formula C20H14Cl3FN4OS and molecular weight 481.99 g/mol. IUPAC: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine.
Chemical Property Profile of 5D-008
Property Insights of 5D-008
The XLogP value of 6.6559 indicates that 5D-008 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.31 Ų, 5D-008 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5D-008 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5D-008?
The CAS number of 5D-008 is 338751-48-7.
What is the molecular formula of 5D-008?
The molecular formula of 5D-008 is C20H14Cl3FN4OS.
What is the molecular weight of 5D-008?
The molecular weight of 5D-008 is 481.99 g/mol.
Where can I buy 5D-008?
You can request a quote for 5D-008 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5D-008?
Yes, KEHONG BIO provides custom synthesis services for 5D-008 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.