![9-benzyl-2-(3,4-dimethoxyphenyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine structure](/static/products/497/497940-68-8.png)
9-benzyl-2-(3,4-dimethoxyphenyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
TL;DR: 9-benzyl-2-(3,4-dimethoxyphenyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine (CAS 497940-68-8) is a chemical compound with molecular formula C25H23N5O2S and molecular weight 457.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-benzyl-4-(3,4-dimethoxyphenyl)-10-thia-3,5,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: 9-benzyl-2-(3,4-dimethoxyphenyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C25H23N5O2S |
|---|---|
| Molecular Weight | 457.16 g/mol |
| LogP | 4.5815 |
| Topological Polar Surface Area | 64.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.15726 |
| Heavy Atoms | 33 |
| Complexity | 1460.51 |
Chemical Identifiers
| CAS Number | 497940-68-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN3C=NC4=C(C3=N2)C5=C(S4)CN(CC5)CC6=CC=CC=C6)OC |
Product Overview
9-benzyl-2-(3,4-dimethoxyphenyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine (CAS 497940-68-8), with molecular formula C25H23N5O2S and molecular weight 457.16 g/mol. IUPAC: 13-benzyl-4-(3,4-dimethoxyphenyl)-10-thia-3,5,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
Chemical Property Profile of 9-benzyl-2-(3,4-dimethoxyphenyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Property Insights of 9-benzyl-2-(3,4-dimethoxyphenyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
The XLogP value of 4.5815 indicates that 9-benzyl-2-(3,4-dimethoxyphenyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-benzyl-2-(3,4-dimethoxyphenyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine. Following Lipinski's Rule of Five, 9-benzyl-2-(3,4-dimethoxyphenyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine has 0 hydrogen bond donor(s) and 7 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 9-benzyl-2-(3,4-dimethoxyphenyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
The CAS number of 9-benzyl-2-(3,4-dimethoxyphenyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is 497940-68-8.
What is the molecular formula of 9-benzyl-2-(3,4-dimethoxyphenyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
The molecular formula of 9-benzyl-2-(3,4-dimethoxyphenyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is C25H23N5O2S.
What is the molecular weight of 9-benzyl-2-(3,4-dimethoxyphenyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
The molecular weight of 9-benzyl-2-(3,4-dimethoxyphenyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is 457.16 g/mol.
Where can I buy 9-benzyl-2-(3,4-dimethoxyphenyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
You can request a quote for 9-benzyl-2-(3,4-dimethoxyphenyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-benzyl-2-(3,4-dimethoxyphenyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 9-benzyl-2-(3,4-dimethoxyphenyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.