![8-[4-(benzyloxy)phenyl]-3-(furan-2-ylmethyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile structure](/static/products/896/896091-67-1.png)
8-[4-(benzyloxy)phenyl]-3-(furan-2-ylmethyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
TL;DR: 8-[4-(benzyloxy)phenyl]-3-(furan-2-ylmethyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile (CAS 896091-67-1) is a chemical compound with molecular formula C26H23N3O3S and molecular weight 457.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(furan-2-ylmethyl)-6-oxo-8-(4-phenylmethoxyphenyl)-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Also Known As: 8-[4-(benzyloxy)phenyl]-3-(furan-2-ylmethyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 3-(furan-2-ylmethyl)-6-oxo-8-(4-phenylmethoxyphenyl)-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 8-(4-(benzyloxy)phenyl)-3-(furan-2-ylmethyl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 8-[4-(BENZYLOXY)PHENYL]-3-[(FURAN-2-YL)METHYL]-6-OXO-2H,3H,4H,6H,7H,8H-PYRIDO[2,1-B][1,3,5]THIADIAZINE-9-CARBONITRILE
| Molecular Formula | C26H23N3O3S |
|---|---|
| Molecular Weight | 457.15 g/mol |
| LogP | 5.07368 |
| Topological Polar Surface Area | 69.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.14603 |
| Heavy Atoms | 33 |
| Complexity | 1183.7799 |
Chemical Identifiers
| CAS Number | 896091-67-1 |
|---|---|
| SMILES | C1C(C(=C2N(C1=O)CN(CS2)CC3=CC=CO3)C#N)C4=CC=C(C=C4)OCC5=CC=CC=C5 |
Product Overview
8-[4-(benzyloxy)phenyl]-3-(furan-2-ylmethyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile (CAS 896091-67-1), with molecular formula C26H23N3O3S and molecular weight 457.15 g/mol. IUPAC: 3-(furan-2-ylmethyl)-6-oxo-8-(4-phenylmethoxyphenyl)-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile.
Chemical Property Profile of 8-[4-(benzyloxy)phenyl]-3-(furan-2-ylmethyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Property Insights of 8-[4-(benzyloxy)phenyl]-3-(furan-2-ylmethyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
The XLogP value of 5.07368 indicates that 8-[4-(benzyloxy)phenyl]-3-(furan-2-ylmethyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[4-(benzyloxy)phenyl]-3-(furan-2-ylmethyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile. Following Lipinski's Rule of Five, 8-[4-(benzyloxy)phenyl]-3-(furan-2-ylmethyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-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 8-[4-(benzyloxy)phenyl]-3-(furan-2-ylmethyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
The CAS number of 8-[4-(benzyloxy)phenyl]-3-(furan-2-ylmethyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile is 896091-67-1.
What is the molecular formula of 8-[4-(benzyloxy)phenyl]-3-(furan-2-ylmethyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
The molecular formula of 8-[4-(benzyloxy)phenyl]-3-(furan-2-ylmethyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile is C26H23N3O3S.
What is the molecular weight of 8-[4-(benzyloxy)phenyl]-3-(furan-2-ylmethyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
The molecular weight of 8-[4-(benzyloxy)phenyl]-3-(furan-2-ylmethyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile is 457.15 g/mol.
Where can I buy 8-[4-(benzyloxy)phenyl]-3-(furan-2-ylmethyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
You can request a quote for 8-[4-(benzyloxy)phenyl]-3-(furan-2-ylmethyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[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 8-[4-(benzyloxy)phenyl]-3-(furan-2-ylmethyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 8-[4-(benzyloxy)phenyl]-3-(furan-2-ylmethyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.