![3-benzyl-8-(2-methoxynaphthalen-1-yl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile structure](/static/products/896/896087-63-1.png)
3-benzyl-8-(2-methoxynaphthalen-1-yl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
TL;DR: 3-benzyl-8-(2-methoxynaphthalen-1-yl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile (CAS 896087-63-1) is a chemical compound with molecular formula C26H23N3O2S and molecular weight 441.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-8-(2-methoxynaphthalen-1-yl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Also Known As: 3-benzyl-8-(2-methoxynaphthalen-1-yl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 3-benzyl-8-(2-methoxynaphthalen-1-yl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 3-BENZYL-8-(2-METHOXYNAPHTHALEN-1-YL)-6-OXO-2H,3H,4H,6H,7H,8H-PYRIDO[2,1-B][1,3,5]THIADIAZINE-9-CARBONITRILE, 3-benzyl-8-(2-methoxynaphthalen-1-yl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 9-benzyl-4-(2-methoxynaphthalen-1-yl)-2-oxo-7-thia-1,9-diazabicyclo[4.4.0]dec-5-ene-5-carbonitrile
| Molecular Formula | C26H23N3O2S |
|---|---|
| Molecular Weight | 441.15 g/mol |
| LogP | 5.06348 |
| Topological Polar Surface Area | 56.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.1511 |
| Heavy Atoms | 32 |
| Complexity | 1248.9117 |
Chemical Identifiers
| CAS Number | 896087-63-1 |
|---|---|
| SMILES | COC1=C(C2=CC=CC=C2C=C1)C3CC(=O)N4CN(CSC4=C3C#N)CC5=CC=CC=C5 |
Product Overview
3-benzyl-8-(2-methoxynaphthalen-1-yl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile (CAS 896087-63-1), with molecular formula C26H23N3O2S and molecular weight 441.15 g/mol. IUPAC: 3-benzyl-8-(2-methoxynaphthalen-1-yl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile.
Chemical Property Profile of 3-benzyl-8-(2-methoxynaphthalen-1-yl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Property Insights of 3-benzyl-8-(2-methoxynaphthalen-1-yl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
The XLogP value of 5.06348 indicates that 3-benzyl-8-(2-methoxynaphthalen-1-yl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.57 Ų, 3-benzyl-8-(2-methoxynaphthalen-1-yl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-benzyl-8-(2-methoxynaphthalen-1-yl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-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 3-benzyl-8-(2-methoxynaphthalen-1-yl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
The CAS number of 3-benzyl-8-(2-methoxynaphthalen-1-yl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile is 896087-63-1.
What is the molecular formula of 3-benzyl-8-(2-methoxynaphthalen-1-yl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
The molecular formula of 3-benzyl-8-(2-methoxynaphthalen-1-yl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile is C26H23N3O2S.
What is the molecular weight of 3-benzyl-8-(2-methoxynaphthalen-1-yl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
The molecular weight of 3-benzyl-8-(2-methoxynaphthalen-1-yl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile is 441.15 g/mol.
Where can I buy 3-benzyl-8-(2-methoxynaphthalen-1-yl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
You can request a quote for 3-benzyl-8-(2-methoxynaphthalen-1-yl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-8-(2-methoxynaphthalen-1-yl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-8-(2-methoxynaphthalen-1-yl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.