![8-benzyl-N-(3,4-dimethoxyphenethyl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine structure](/static/products/899/899407-13-7.png)
8-benzyl-N-(3,4-dimethoxyphenethyl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine
TL;DR: 8-benzyl-N-(3,4-dimethoxyphenethyl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine (CAS 899407-13-7) is a chemical compound with molecular formula C26H27N7O2S and molecular weight 501.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-16-thia-2,3,4,5,7,13-hexazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,7,10(15)-pentaen-8-amine
Also Known As: 8-benzyl-N-(3,4-dimethoxyphenethyl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine, 8-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine
| Molecular Formula | C26H27N7O2S |
|---|---|
| Molecular Weight | 501.19 g/mol |
| LogP | 3.9641 |
| Topological Polar Surface Area | 89.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 501.1947 |
| Heavy Atoms | 36 |
| Complexity | 1515.6016 |
Chemical Identifiers
| CAS Number | 899407-13-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC2=NC3=NN=NN3C4=C2C5=C(S4)CN(CC5)CC6=CC=CC=C6)OC |
Product Overview
8-benzyl-N-(3,4-dimethoxyphenethyl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine (CAS 899407-13-7), with molecular formula C26H27N7O2S and molecular weight 501.19 g/mol. IUPAC: 13-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-16-thia-2,3,4,5,7,13-hexazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,7,10(15)-pentaen-8-amine.
Chemical Property Profile of 8-benzyl-N-(3,4-dimethoxyphenethyl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine
Property Insights of 8-benzyl-N-(3,4-dimethoxyphenethyl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine
The XLogP value of 3.9641 indicates that 8-benzyl-N-(3,4-dimethoxyphenethyl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-benzyl-N-(3,4-dimethoxyphenethyl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine. Following Lipinski's Rule of Five, 8-benzyl-N-(3,4-dimethoxyphenethyl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-benzyl-N-(3,4-dimethoxyphenethyl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine?
The CAS number of 8-benzyl-N-(3,4-dimethoxyphenethyl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine is 899407-13-7.
What is the molecular formula of 8-benzyl-N-(3,4-dimethoxyphenethyl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine?
The molecular formula of 8-benzyl-N-(3,4-dimethoxyphenethyl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine is C26H27N7O2S.
What is the molecular weight of 8-benzyl-N-(3,4-dimethoxyphenethyl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine?
The molecular weight of 8-benzyl-N-(3,4-dimethoxyphenethyl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine is 501.19 g/mol.
Where can I buy 8-benzyl-N-(3,4-dimethoxyphenethyl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine?
You can request a quote for 8-benzyl-N-(3,4-dimethoxyphenethyl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-benzyl-N-(3,4-dimethoxyphenethyl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 8-benzyl-N-(3,4-dimethoxyphenethyl)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e]tetrazolo[1,5-a]pyrimidin-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.