ChemDiv3_006701
TL;DR: ChemDiv3_006701 (CAS 354556-50-6) is a chemical compound with molecular formula C18H16F3N3S and molecular weight 363.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
Also Known As: ChemDiv3_006701, BAS 06899981, IDI1_024611, AM-807/14957113, 6-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
| Molecular Formula | C18H16F3N3S |
|---|---|
| Molecular Weight | 363.10 g/mol |
| LogP | 4.25228 |
| Topological Polar Surface Area | 39.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.1017 |
| Heavy Atoms | 25 |
| Complexity | 827.2916 |
Chemical Identifiers
| CAS Number | 354556-50-6 |
|---|---|
| SMILES | CN1CCC2=NC(=C(C=C2C1)C#N)SCC3=CC(=CC=C3)C(F)(F)F |
Product Overview
ChemDiv3_006701 (CAS 354556-50-6), with molecular formula C18H16F3N3S and molecular weight 363.10 g/mol. IUPAC: 6-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile.
Chemical Property Profile of ChemDiv3_006701
Property Insights of ChemDiv3_006701
The XLogP value of 4.25228 indicates that ChemDiv3_006701 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.92 Ų, ChemDiv3_006701 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_006701 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 ChemDiv3_006701?
The CAS number of ChemDiv3_006701 is 354556-50-6.
What is the molecular formula of ChemDiv3_006701?
The molecular formula of ChemDiv3_006701 is C18H16F3N3S.
What is the molecular weight of ChemDiv3_006701?
The molecular weight of ChemDiv3_006701 is 363.10 g/mol.
Where can I buy ChemDiv3_006701?
You can request a quote for ChemDiv3_006701 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_006701?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_006701 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.