BAS 06899950
TL;DR: BAS 06899950 (CAS 496804-86-5) is a chemical compound with molecular formula C17H15Cl2N3S and molecular weight 363.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dichlorophenyl)methylsulfanyl]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
Also Known As: BAS 06899950, 2-[(3,4-dichlorobenzyl)sulfanyl]-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile, 2-[(3,4-dichlorophenyl)methylsulfanyl]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile, AM-807/14147550, 2-((3,4-dichlorobenzyl)thio)-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
| Molecular Formula | C17H15Cl2N3S |
|---|---|
| Molecular Weight | 363.04 g/mol |
| LogP | 4.54028 |
| Topological Polar Surface Area | 39.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.03638 |
| Heavy Atoms | 23 |
| Complexity | 786.1384 |
Chemical Identifiers
| CAS Number | 496804-86-5 |
|---|---|
| SMILES | CN1CCC2=NC(=C(C=C2C1)C#N)SCC3=CC(=C(C=C3)Cl)Cl |
Product Overview
BAS 06899950 (CAS 496804-86-5), with molecular formula C17H15Cl2N3S and molecular weight 363.04 g/mol. IUPAC: 2-[(3,4-dichlorophenyl)methylsulfanyl]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile.
Chemical Property Profile of BAS 06899950
Property Insights of BAS 06899950
The XLogP value of 4.54028 indicates that BAS 06899950 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.92 Ų, BAS 06899950 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 06899950 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 BAS 06899950?
The CAS number of BAS 06899950 is 496804-86-5.
What is the molecular formula of BAS 06899950?
The molecular formula of BAS 06899950 is C17H15Cl2N3S.
What is the molecular weight of BAS 06899950?
The molecular weight of BAS 06899950 is 363.04 g/mol.
Where can I buy BAS 06899950?
You can request a quote for BAS 06899950 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06899950?
Yes, KEHONG BIO provides custom synthesis services for BAS 06899950 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.