![n-Benzyl[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amine structure](/static/products/3968/3968-40-9.webp)
n-Benzyl[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amine
TL;DR: n-Benzyl[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amine (CAS 3968-40-9) is a chemical compound with molecular formula C11H9N5S and molecular weight 243.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amine
Also Known As: n-benzyl[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amine, N-benzyl-[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amine, benzyl-[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-yl-amine
| Molecular Formula | C11H9N5S |
|---|---|
| Molecular Weight | 243.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 91.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.05786 |
| Heavy Atoms | 17 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 3968-40-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=NC=NC3=NSN=C32 |
| InChIKey | JKGOUQKTOFKZJQ-UHFFFAOYSA-N |
Product Overview
n-Benzyl[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amine (CAS 3968-40-9), with molecular formula C11H9N5S and molecular weight 243.06 g/mol. IUPAC: N-benzyl-[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amine.
Chemical Property Profile of n-Benzyl[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amine
Property Insights of n-Benzyl[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-Benzyl[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amine. The TPSA of 91.8 Ų falls within the moderate polarity range, balancing permeability and solubility for n-Benzyl[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amine. Following Lipinski's Rule of Five, n-Benzyl[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-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 n-Benzyl[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amine?
The CAS number of n-Benzyl[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amine is 3968-40-9.
What is the molecular formula of n-Benzyl[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amine?
The molecular formula of n-Benzyl[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amine is C11H9N5S.
What is the molecular weight of n-Benzyl[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amine?
The molecular weight of n-Benzyl[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amine is 243.06 g/mol.
Where can I buy n-Benzyl[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amine?
You can request a quote for n-Benzyl[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Benzyl[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amine?
Yes, KEHONG BIO provides custom synthesis services for n-Benzyl[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.