4D-003
TL;DR: 4D-003 (CAS 338417-67-7) is a chemical compound with molecular formula C18H10Cl4N4S and molecular weight 453.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine
Also Known As: 4D-003, 2-[(2,6-dichlorobenzyl)sulfanyl]-7-(2,4-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidine, 7-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine, 7-(2,4-dichlorophenyl)-2-{[(2,6-dichlorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-a]pyrimidine
| Molecular Formula | C18H10Cl4N4S |
|---|---|
| Molecular Weight | 453.94 g/mol |
| LogP | 6.6972 |
| Topological Polar Surface Area | 43.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.93802 |
| Heavy Atoms | 27 |
| Complexity | 1125.3721 |
Chemical Identifiers
| CAS Number | 338417-67-7 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)CSC2=NN3C(=CC=NC3=N2)C4=C(C=C(C=C4)Cl)Cl)Cl |
Product Overview
4D-003 (CAS 338417-67-7), with molecular formula C18H10Cl4N4S and molecular weight 453.94 g/mol. IUPAC: 7-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine.
Chemical Property Profile of 4D-003
Property Insights of 4D-003
The XLogP value of 6.6972 indicates that 4D-003 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.08 Ų, 4D-003 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4D-003 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 4D-003?
The CAS number of 4D-003 is 338417-67-7.
What is the molecular formula of 4D-003?
The molecular formula of 4D-003 is C18H10Cl4N4S.
What is the molecular weight of 4D-003?
The molecular weight of 4D-003 is 453.94 g/mol.
Where can I buy 4D-003?
You can request a quote for 4D-003 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4D-003?
Yes, KEHONG BIO provides custom synthesis services for 4D-003 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.