ChemDiv3_004294
TL;DR: ChemDiv3_004294 (CAS 445384-26-9) is a chemical compound with molecular formula C17H16ClN3S and molecular weight 329.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
Also Known As: ChemDiv3_004294, IDI1_022204, AM-807/14957110, BRD-K70057423-001-01-7, 2-((3-chlorobenzyl)thio)-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
| Molecular Formula | C17H16ClN3S |
|---|---|
| Molecular Weight | 329.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 65.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.07535 |
| Heavy Atoms | 22 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 445384-26-9 |
|---|---|
| SMILES | CN1CCC2=NC(=C(C=C2C1)C#N)SCC3=CC(=CC=C3)Cl |
| InChIKey | GRXYAXNYJQHVIY-UHFFFAOYSA-N |
Product Overview
ChemDiv3_004294 (CAS 445384-26-9), with molecular formula C17H16ClN3S and molecular weight 329.08 g/mol. IUPAC: 2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile.
Chemical Property Profile of ChemDiv3_004294
Property Insights of ChemDiv3_004294
The XLogP value of 3.4 indicates that ChemDiv3_004294 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.2 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004294. Following Lipinski's Rule of Five, ChemDiv3_004294 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_004294?
The CAS number of ChemDiv3_004294 is 445384-26-9.
What is the molecular formula of ChemDiv3_004294?
The molecular formula of ChemDiv3_004294 is C17H16ClN3S.
What is the molecular weight of ChemDiv3_004294?
The molecular weight of ChemDiv3_004294 is 329.08 g/mol.
Where can I buy ChemDiv3_004294?
You can request a quote for ChemDiv3_004294 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004294?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004294 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.