ChemDiv1_017873
TL;DR: ChemDiv1_017873 (CAS 336180-85-9) is a chemical compound with molecular formula C21H18FN3S2 and molecular weight 395.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
Also Known As: ChemDiv1_017873, 2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile, 2-((4-fluorobenzyl)thio)-6-methyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile, 2-[(4-fluorobenzyl)sulfanyl]-6-methyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile, 2-[(4-fluorophenyl)methylthio]-6-methyl-4-(2-thienyl)-5,6,7,8-tetrahydropyridi no[3,2-c]pyridine-3-carbonitrile
| Molecular Formula | C21H18FN3S2 |
|---|---|
| Molecular Weight | 395.09 g/mol |
| LogP | 5.10108 |
| Topological Polar Surface Area | 39.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.09262 |
| Heavy Atoms | 27 |
| Complexity | 991.7565 |
Chemical Identifiers
| CAS Number | 336180-85-9 |
|---|---|
| SMILES | CN1CCC2=C(C1)C(=C(C(=N2)SCC3=CC=C(C=C3)F)C#N)C4=CC=CS4 |
Product Overview
ChemDiv1_017873 (CAS 336180-85-9), with molecular formula C21H18FN3S2 and molecular weight 395.09 g/mol. IUPAC: 2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile.
Chemical Property Profile of ChemDiv1_017873
Property Insights of ChemDiv1_017873
The XLogP value of 5.10108 indicates that ChemDiv1_017873 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.92 Ų, ChemDiv1_017873 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_017873 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 ChemDiv1_017873?
The CAS number of ChemDiv1_017873 is 336180-85-9.
What is the molecular formula of ChemDiv1_017873?
The molecular formula of ChemDiv1_017873 is C21H18FN3S2.
What is the molecular weight of ChemDiv1_017873?
The molecular weight of ChemDiv1_017873 is 395.09 g/mol.
Where can I buy ChemDiv1_017873?
You can request a quote for ChemDiv1_017873 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_017873?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_017873 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.