![4,8,9,10,11-pentahydrobenzo[b]thiopheno[2,3-d]1,2,4-triazolo[1,5-e]pyrimidin-5 -yl(3-pyridylmethyl)amine structure](/static/products/861/861147-62-8.png)
4,8,9,10,11-pentahydrobenzo[b]thiopheno[2,3-d]1,2,4-triazolo[1,5-e]pyrimidin-5 -yl(3-pyridylmethyl)amine
TL;DR: 4,8,9,10,11-pentahydrobenzo[b]thiopheno[2,3-d]1,2,4-triazolo[1,5-e]pyrimidin-5 -yl(3-pyridylmethyl)amine (CAS 861147-62-8) is a chemical compound with molecular formula C17H16N6S and molecular weight 336.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(pyridin-3-ylmethyl)-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine
Also Known As: 4,8,9,10,11-pentahydrobenzo[b]thiopheno[2,3-d]1,2,4-triazolo[1,5-e]pyrimidin-5 -yl(3-pyridylmethyl)amine, N-(3-pyridylmethyl)-N-(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)amine, N-(pyridin-3-ylmethyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine, N-(pyridin-3-ylmethyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
| Molecular Formula | C17H16N6S |
|---|---|
| Molecular Weight | 336.12 g/mol |
| LogP | 3.2249 |
| Topological Polar Surface Area | 68.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.11572 |
| Heavy Atoms | 24 |
| Complexity | 1019.85443 |
Chemical Identifiers
| CAS Number | 861147-62-8 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(N4C3=NC=N4)NCC5=CN=CC=C5 |
Product Overview
4,8,9,10,11-pentahydrobenzo[b]thiopheno[2,3-d]1,2,4-triazolo[1,5-e]pyrimidin-5 -yl(3-pyridylmethyl)amine (CAS 861147-62-8), with molecular formula C17H16N6S and molecular weight 336.12 g/mol. IUPAC: N-(pyridin-3-ylmethyl)-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine.
Chemical Property Profile of 4,8,9,10,11-pentahydrobenzo[b]thiopheno[2,3-d]1,2,4-triazolo[1,5-e]pyrimidin-5 -yl(3-pyridylmethyl)amine
Property Insights of 4,8,9,10,11-pentahydrobenzo[b]thiopheno[2,3-d]1,2,4-triazolo[1,5-e]pyrimidin-5 -yl(3-pyridylmethyl)amine
The XLogP value of 3.2249 indicates that 4,8,9,10,11-pentahydrobenzo[b]thiopheno[2,3-d]1,2,4-triazolo[1,5-e]pyrimidin-5 -yl(3-pyridylmethyl)amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,8,9,10,11-pentahydrobenzo[b]thiopheno[2,3-d]1,2,4-triazolo[1,5-e]pyrimidin-5 -yl(3-pyridylmethyl)amine. Following Lipinski's Rule of Five, 4,8,9,10,11-pentahydrobenzo[b]thiopheno[2,3-d]1,2,4-triazolo[1,5-e]pyrimidin-5 -yl(3-pyridylmethyl)amine has 1 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 4,8,9,10,11-pentahydrobenzo[b]thiopheno[2,3-d]1,2,4-triazolo[1,5-e]pyrimidin-5 -yl(3-pyridylmethyl)amine?
The CAS number of 4,8,9,10,11-pentahydrobenzo[b]thiopheno[2,3-d]1,2,4-triazolo[1,5-e]pyrimidin-5 -yl(3-pyridylmethyl)amine is 861147-62-8.
What is the molecular formula of 4,8,9,10,11-pentahydrobenzo[b]thiopheno[2,3-d]1,2,4-triazolo[1,5-e]pyrimidin-5 -yl(3-pyridylmethyl)amine?
The molecular formula of 4,8,9,10,11-pentahydrobenzo[b]thiopheno[2,3-d]1,2,4-triazolo[1,5-e]pyrimidin-5 -yl(3-pyridylmethyl)amine is C17H16N6S.
What is the molecular weight of 4,8,9,10,11-pentahydrobenzo[b]thiopheno[2,3-d]1,2,4-triazolo[1,5-e]pyrimidin-5 -yl(3-pyridylmethyl)amine?
The molecular weight of 4,8,9,10,11-pentahydrobenzo[b]thiopheno[2,3-d]1,2,4-triazolo[1,5-e]pyrimidin-5 -yl(3-pyridylmethyl)amine is 336.12 g/mol.
Where can I buy 4,8,9,10,11-pentahydrobenzo[b]thiopheno[2,3-d]1,2,4-triazolo[1,5-e]pyrimidin-5 -yl(3-pyridylmethyl)amine?
You can request a quote for 4,8,9,10,11-pentahydrobenzo[b]thiopheno[2,3-d]1,2,4-triazolo[1,5-e]pyrimidin-5 -yl(3-pyridylmethyl)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,8,9,10,11-pentahydrobenzo[b]thiopheno[2,3-d]1,2,4-triazolo[1,5-e]pyrimidin-5 -yl(3-pyridylmethyl)amine?
Yes, KEHONG BIO provides custom synthesis services for 4,8,9,10,11-pentahydrobenzo[b]thiopheno[2,3-d]1,2,4-triazolo[1,5-e]pyrimidin-5 -yl(3-pyridylmethyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.