![6-methyl-2-[(2-methylbenzyl)sulfanyl]-4-(2-thienyl)-5,6,7,8-tetrahydro[1,6]naphthyridine-3-carbonitrile structure](/static/products/4453/445383-70-0.webp)
6-methyl-2-[(2-methylbenzyl)sulfanyl]-4-(2-thienyl)-5,6,7,8-tetrahydro[1,6]naphthyridine-3-carbonitrile
TL;DR: 6-methyl-2-[(2-methylbenzyl)sulfanyl]-4-(2-thienyl)-5,6,7,8-tetrahydro[1,6]naphthyridine-3-carbonitrile (CAS 445383-70-0) is a chemical compound with molecular formula C22H21N3S2 and molecular weight 391.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-2-[(2-methylphenyl)methylsulfanyl]-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
Also Known As: 6-methyl-2-[(2-methylbenzyl)sulfanyl]-4-(2-thienyl)-5,6,7,8-tetrahydro[1,6]naphthyridine-3-carbonitrile, 6-methyl-2-[(2-methylphenyl)methylsulfanyl]-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile, 6-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
| Molecular Formula | C22H21N3S2 |
|---|---|
| Molecular Weight | 391.12 g/mol |
| LogP | 5.2704 |
| Topological Polar Surface Area | 39.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.11768 |
| Heavy Atoms | 27 |
| Complexity | 1003.13763 |
Chemical Identifiers
| CAS Number | 445383-70-0 |
|---|---|
| SMILES | CC1=CC=CC=C1CSC2=NC3=C(CN(CC3)C)C(=C2C#N)C4=CC=CS4 |
Product Overview
6-methyl-2-[(2-methylbenzyl)sulfanyl]-4-(2-thienyl)-5,6,7,8-tetrahydro[1,6]naphthyridine-3-carbonitrile (CAS 445383-70-0), with molecular formula C22H21N3S2 and molecular weight 391.12 g/mol. IUPAC: 6-methyl-2-[(2-methylphenyl)methylsulfanyl]-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile.
Chemical Property Profile of 6-methyl-2-[(2-methylbenzyl)sulfanyl]-4-(2-thienyl)-5,6,7,8-tetrahydro[1,6]naphthyridine-3-carbonitrile
Property Insights of 6-methyl-2-[(2-methylbenzyl)sulfanyl]-4-(2-thienyl)-5,6,7,8-tetrahydro[1,6]naphthyridine-3-carbonitrile
The XLogP value of 5.2704 indicates that 6-methyl-2-[(2-methylbenzyl)sulfanyl]-4-(2-thienyl)-5,6,7,8-tetrahydro[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 39.92 Ų, 6-methyl-2-[(2-methylbenzyl)sulfanyl]-4-(2-thienyl)-5,6,7,8-tetrahydro[1,6]naphthyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-methyl-2-[(2-methylbenzyl)sulfanyl]-4-(2-thienyl)-5,6,7,8-tetrahydro[1,6]naphthyridine-3-carbonitrile 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 6-methyl-2-[(2-methylbenzyl)sulfanyl]-4-(2-thienyl)-5,6,7,8-tetrahydro[1,6]naphthyridine-3-carbonitrile?
The CAS number of 6-methyl-2-[(2-methylbenzyl)sulfanyl]-4-(2-thienyl)-5,6,7,8-tetrahydro[1,6]naphthyridine-3-carbonitrile is 445383-70-0.
What is the molecular formula of 6-methyl-2-[(2-methylbenzyl)sulfanyl]-4-(2-thienyl)-5,6,7,8-tetrahydro[1,6]naphthyridine-3-carbonitrile?
The molecular formula of 6-methyl-2-[(2-methylbenzyl)sulfanyl]-4-(2-thienyl)-5,6,7,8-tetrahydro[1,6]naphthyridine-3-carbonitrile is C22H21N3S2.
What is the molecular weight of 6-methyl-2-[(2-methylbenzyl)sulfanyl]-4-(2-thienyl)-5,6,7,8-tetrahydro[1,6]naphthyridine-3-carbonitrile?
The molecular weight of 6-methyl-2-[(2-methylbenzyl)sulfanyl]-4-(2-thienyl)-5,6,7,8-tetrahydro[1,6]naphthyridine-3-carbonitrile is 391.12 g/mol.
Where can I buy 6-methyl-2-[(2-methylbenzyl)sulfanyl]-4-(2-thienyl)-5,6,7,8-tetrahydro[1,6]naphthyridine-3-carbonitrile?
You can request a quote for 6-methyl-2-[(2-methylbenzyl)sulfanyl]-4-(2-thienyl)-5,6,7,8-tetrahydro[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 6-methyl-2-[(2-methylbenzyl)sulfanyl]-4-(2-thienyl)-5,6,7,8-tetrahydro[1,6]naphthyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-methyl-2-[(2-methylbenzyl)sulfanyl]-4-(2-thienyl)-5,6,7,8-tetrahydro[1,6]naphthyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.