3D-096
TL;DR: 3D-096 (CAS 338403-83-1) is a chemical compound with molecular formula C19H14Cl2N4OS and molecular weight 416.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,6-dichlorophenyl)methylsulfanyl]-7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
Also Known As: 3D-096, 2-[(2,6-dichlorobenzyl)sulfanyl]-7-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine, 2-[(2,6-dichlorophenyl)methylsulfanyl]-7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine, 2-{[(2,6-dichlorophenyl)methyl]sulfanyl}-7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
| Molecular Formula | C19H14Cl2N4OS |
|---|---|
| Molecular Weight | 416.03 g/mol |
| LogP | 5.399 |
| Topological Polar Surface Area | 52.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.02655 |
| Heavy Atoms | 27 |
| Complexity | 1078.519 |
Chemical Identifiers
| CAS Number | 338403-83-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC=NC3=NC(=NN23)SCC4=C(C=CC=C4Cl)Cl |
Product Overview
3D-096 (CAS 338403-83-1), with molecular formula C19H14Cl2N4OS and molecular weight 416.03 g/mol. IUPAC: 2-[(2,6-dichlorophenyl)methylsulfanyl]-7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
Chemical Property Profile of 3D-096
Property Insights of 3D-096
The XLogP value of 5.399 indicates that 3D-096 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.31 Ų, 3D-096 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3D-096 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 3D-096?
The CAS number of 3D-096 is 338403-83-1.
What is the molecular formula of 3D-096?
The molecular formula of 3D-096 is C19H14Cl2N4OS.
What is the molecular weight of 3D-096?
The molecular weight of 3D-096 is 416.03 g/mol.
Where can I buy 3D-096?
You can request a quote for 3D-096 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3D-096?
Yes, KEHONG BIO provides custom synthesis services for 3D-096 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.