![2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-thiophen-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile structure](/static/products/3395/339582-16-0.webp)
2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-thiophen-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
TL;DR: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-thiophen-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile (CAS 339582-16-0) is a chemical compound with molecular formula C22H18BrN3OS2 and molecular weight 483.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-thiophen-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
Also Known As: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-thiophen-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile, 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-methyl-4-(3-thienyl)-5,6,7,8-tetrahydro[1,6]naphthyridine-3-carbonitrile
| Molecular Formula | C22H18BrN3OS2 |
|---|---|
| Molecular Weight | 483.01 g/mol |
| LogP | 5.40718 |
| Topological Polar Surface Area | 56.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 483.00748 |
| Heavy Atoms | 29 |
| Complexity | 1088.7355 |
Chemical Identifiers
| CAS Number | 339582-16-0 |
|---|---|
| SMILES | CN1CCC2=C(C1)C(=C(C(=N2)SCC(=O)C3=CC=C(C=C3)Br)C#N)C4=CSC=C4 |
Product Overview
2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-thiophen-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile (CAS 339582-16-0), with molecular formula C22H18BrN3OS2 and molecular weight 483.01 g/mol. IUPAC: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-thiophen-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile.
Chemical Property Profile of 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-thiophen-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
Property Insights of 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-thiophen-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
The XLogP value of 5.40718 indicates that 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-thiophen-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.99 Ų, 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-thiophen-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-thiophen-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-thiophen-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The CAS number of 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-thiophen-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile is 339582-16-0.
What is the molecular formula of 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-thiophen-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The molecular formula of 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-thiophen-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile is C22H18BrN3OS2.
What is the molecular weight of 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-thiophen-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
The molecular weight of 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-thiophen-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile is 483.01 g/mol.
Where can I buy 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-thiophen-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
You can request a quote for 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-thiophen-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-thiophen-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-methyl-4-thiophen-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.