![8-benzyl-2-methyl-4-phenyl-7,8,9,10-tetrahydro-3H-pyrido[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,2-b][1,2,4]triazine-3,11(4H)-dione structure](/static/products/369/369610-68-4.png)
8-benzyl-2-methyl-4-phenyl-7,8,9,10-tetrahydro-3H-pyrido[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,2-b][1,2,4]triazine-3,11(4H)-dione
TL;DR: 8-benzyl-2-methyl-4-phenyl-7,8,9,10-tetrahydro-3H-pyrido[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,2-b][1,2,4]triazine-3,11(4H)-dione (CAS 369610-68-4) is a chemical compound with molecular formula C25H21N5O2S and molecular weight 455.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-benzyl-6-methyl-4-phenyl-17-thia-2,4,7,8,14-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,6,11(16)-tetraene-5,9-dione
Also Known As: 8-benzyl-2-methyl-4-phenyl-7,8,9,10-tetrahydro-3H-pyrido[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,2-b][1,2,4]triazine-3,11(4H)-dione
| Molecular Formula | C25H21N5O2S |
|---|---|
| Molecular Weight | 455.14 g/mol |
| LogP | 3.32182 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 455.1416 |
| Heavy Atoms | 33 |
| Complexity | 1620.3196 |
Chemical Identifiers
| CAS Number | 369610-68-4 |
|---|---|
| SMILES | CC1=NN2C(=O)C3=C(N=C2N(C1=O)C4=CC=CC=C4)SC5=C3CCN(C5)CC6=CC=CC=C6 |
Product Overview
8-benzyl-2-methyl-4-phenyl-7,8,9,10-tetrahydro-3H-pyrido[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,2-b][1,2,4]triazine-3,11(4H)-dione (CAS 369610-68-4), with molecular formula C25H21N5O2S and molecular weight 455.14 g/mol. IUPAC: 14-benzyl-6-methyl-4-phenyl-17-thia-2,4,7,8,14-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,6,11(16)-tetraene-5,9-dione.
Chemical Property Profile of 8-benzyl-2-methyl-4-phenyl-7,8,9,10-tetrahydro-3H-pyrido[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,2-b][1,2,4]triazine-3,11(4H)-dione
Property Insights of 8-benzyl-2-methyl-4-phenyl-7,8,9,10-tetrahydro-3H-pyrido[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,2-b][1,2,4]triazine-3,11(4H)-dione
The XLogP value of 3.32182 indicates that 8-benzyl-2-methyl-4-phenyl-7,8,9,10-tetrahydro-3H-pyrido[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,2-b][1,2,4]triazine-3,11(4H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-benzyl-2-methyl-4-phenyl-7,8,9,10-tetrahydro-3H-pyrido[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,2-b][1,2,4]triazine-3,11(4H)-dione. Following Lipinski's Rule of Five, 8-benzyl-2-methyl-4-phenyl-7,8,9,10-tetrahydro-3H-pyrido[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,2-b][1,2,4]triazine-3,11(4H)-dione has 0 hydrogen bond donor(s) and 6 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 8-benzyl-2-methyl-4-phenyl-7,8,9,10-tetrahydro-3H-pyrido[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,2-b][1,2,4]triazine-3,11(4H)-dione?
The CAS number of 8-benzyl-2-methyl-4-phenyl-7,8,9,10-tetrahydro-3H-pyrido[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,2-b][1,2,4]triazine-3,11(4H)-dione is 369610-68-4.
What is the molecular formula of 8-benzyl-2-methyl-4-phenyl-7,8,9,10-tetrahydro-3H-pyrido[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,2-b][1,2,4]triazine-3,11(4H)-dione?
The molecular formula of 8-benzyl-2-methyl-4-phenyl-7,8,9,10-tetrahydro-3H-pyrido[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,2-b][1,2,4]triazine-3,11(4H)-dione is C25H21N5O2S.
What is the molecular weight of 8-benzyl-2-methyl-4-phenyl-7,8,9,10-tetrahydro-3H-pyrido[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,2-b][1,2,4]triazine-3,11(4H)-dione?
The molecular weight of 8-benzyl-2-methyl-4-phenyl-7,8,9,10-tetrahydro-3H-pyrido[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,2-b][1,2,4]triazine-3,11(4H)-dione is 455.14 g/mol.
Where can I buy 8-benzyl-2-methyl-4-phenyl-7,8,9,10-tetrahydro-3H-pyrido[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,2-b][1,2,4]triazine-3,11(4H)-dione?
You can request a quote for 8-benzyl-2-methyl-4-phenyl-7,8,9,10-tetrahydro-3H-pyrido[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,2-b][1,2,4]triazine-3,11(4H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-benzyl-2-methyl-4-phenyl-7,8,9,10-tetrahydro-3H-pyrido[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,2-b][1,2,4]triazine-3,11(4H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-benzyl-2-methyl-4-phenyl-7,8,9,10-tetrahydro-3H-pyrido[4'',3'':4',5']thieno[2',3':4,5]pyrimido[1,2-b][1,2,4]triazine-3,11(4H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.