![N-benzyl-2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanylacetamide structure](/static/products/863/863452-94-2.png)
N-benzyl-2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanylacetamide
TL;DR: N-benzyl-2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanylacetamide (CAS 863452-94-2) is a chemical compound with molecular formula C20H18N6OS and molecular weight 390.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanylacetamide
Also Known As: ChemDiv3_011414, IDI1_028972, BRD-K70591835-001-01-7, F0682-0060, N-benzyl-2-({3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}sulfanyl)acetamide
| Molecular Formula | C20H18N6OS |
|---|---|
| Molecular Weight | 390.13 g/mol |
| LogP | 2.6781 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 390.12628 |
| Heavy Atoms | 28 |
| Complexity | 1067.9658 |
Chemical Identifiers
| CAS Number | 863452-94-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)CSC2=NC=NC3=C2N=NN3CC4=CC=CC=C4 |
Product Overview
N-benzyl-2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanylacetamide (CAS 863452-94-2), with molecular formula C20H18N6OS and molecular weight 390.13 g/mol. IUPAC: N-benzyl-2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanylacetamide.
Chemical Property Profile of N-benzyl-2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanylacetamide
Property Insights of N-benzyl-2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanylacetamide
The XLogP value of 2.6781 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanylacetamide. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanylacetamide. Following Lipinski's Rule of Five, N-benzyl-2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanylacetamide 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-2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanylacetamide?
The CAS number of N-benzyl-2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanylacetamide is 863452-94-2.
What is the molecular formula of N-benzyl-2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanylacetamide?
The molecular formula of N-benzyl-2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanylacetamide is C20H18N6OS.
What is the molecular weight of N-benzyl-2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanylacetamide?
The molecular weight of N-benzyl-2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanylacetamide is 390.13 g/mol.
Where can I buy N-benzyl-2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanylacetamide?
You can request a quote for N-benzyl-2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanylacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-2-(3-benzyltriazolo[4,5-d]pyrimidin-7-yl)sulfanylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.