2-氯苄基6-氟-4-肉啉基硫醚
TL;DR: 2-氯苄基6-氟-4-肉啉基硫醚 (CAS 21261-85-8) is a chemical compound with molecular formula C15H10ClFN2S and molecular weight 304.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯苄基6-氟-4-肉啉基硫醚
4-[(2-chlorophenyl)methylsulfanyl]-6-fluorocinnoline
Also Known As: 2-Chlorobenzyl 6-fluoro-4-cinnolinyl sulfide, NCIOpen2_008154, 4-((2-Chlorobenzyl)thio)-6-fluorocinnoline, 4-[(2-chlorophenyl)methylsulfanyl]-6-fluorocinnoline, AM-944/40948154
| Molecular Formula | C15H10ClFN2S |
|---|---|
| Molecular Weight | 304.02 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.0237 |
| Heavy Atoms | 20 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 21261-85-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=CN=NC3=C2C=C(C=C3)F)Cl |
| InChIKey | LDIHILQPRKEBKS-UHFFFAOYSA-N |
Product Overview
2-氯苄基6-氟-4-肉啉基硫醚 (CAS 21261-85-8), with molecular formula C15H10ClFN2S and molecular weight 304.02 g/mol. IUPAC: 4-[(2-chlorophenyl)methylsulfanyl]-6-fluorocinnoline.
Chemical Property Profile of 2-氯苄基6-氟-4-肉啉基硫醚
Property Insights of 2-氯苄基6-氟-4-肉啉基硫醚
The XLogP value of 3.9 indicates that 2-氯苄基6-氟-4-肉啉基硫醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.1 Ų, 2-氯苄基6-氟-4-肉啉基硫醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氯苄基6-氟-4-肉啉基硫醚 has 0 hydrogen bond donor(s) and 4 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 2-氯苄基6-氟-4-肉啉基硫醚?
The CAS number of 2-氯苄基6-氟-4-肉啉基硫醚 is 21261-85-8.
What is the molecular formula of 2-氯苄基6-氟-4-肉啉基硫醚?
The molecular formula of 2-氯苄基6-氟-4-肉啉基硫醚 is C15H10ClFN2S.
What is the molecular weight of 2-氯苄基6-氟-4-肉啉基硫醚?
The molecular weight of 2-氯苄基6-氟-4-肉啉基硫醚 is 304.02 g/mol.
Where can I buy 2-氯苄基6-氟-4-肉啉基硫醚?
You can request a quote for 2-氯苄基6-氟-4-肉啉基硫醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氯苄基6-氟-4-肉啉基硫醚?
Yes, KEHONG BIO provides custom synthesis services for 2-氯苄基6-氟-4-肉啉基硫醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.