5D-002
TL;DR: 5D-002 (CAS 338751-45-4) is a chemical compound with molecular formula C19H14ClFN4OS and molecular weight 400.06 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-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
Also Known As: 5D-002, 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-7-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine, 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine, 2-((2-Chloro-6-fluorobenzyl)thio)-7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine, 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
| Molecular Formula | C19H14ClFN4OS |
|---|---|
| Molecular Weight | 400.06 g/mol |
| LogP | 4.8847 |
| Topological Polar Surface Area | 52.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.0561 |
| Heavy Atoms | 27 |
| Complexity | 1080.519 |
Chemical Identifiers
| CAS Number | 338751-45-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC=NC3=NC(=NN23)SCC4=C(C=CC=C4Cl)F |
Product Overview
5D-002 (CAS 338751-45-4), with molecular formula C19H14ClFN4OS and molecular weight 400.06 g/mol. IUPAC: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
Chemical Property Profile of 5D-002
Property Insights of 5D-002
The XLogP value of 4.8847 indicates that 5D-002 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-002 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5D-002 has 0 hydrogen bond donor(s) and 5 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 5D-002?
The CAS number of 5D-002 is 338751-45-4.
What is the molecular formula of 5D-002?
The molecular formula of 5D-002 is C19H14ClFN4OS.
What is the molecular weight of 5D-002?
The molecular weight of 5D-002 is 400.06 g/mol.
Where can I buy 5D-002?
You can request a quote for 5D-002 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5D-002?
Yes, KEHONG BIO provides custom synthesis services for 5D-002 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.