6-Benzylthio-4,7-bis(dimethylamino)-2-piperazino-pteridine
TL;DR: 6-Benzylthio-4,7-bis(dimethylamino)-2-piperazino-pteridine (CAS 96801-80-8) is a chemical compound with molecular formula C21H28N8S and molecular weight 424.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzylsulfanyl-4-N,4-N,7-N,7-N-tetramethyl-2-piperazin-1-ylpteridine-4,7-diamine
Also Known As: 6-Benzylthio-4,7-bis(dimethylamino)-2-piperazino-pteridine, 4,7-Pteridinediamine, N,N,N',N'-tetramethyl-6-((phenylmethyl)thio)-2-(1-piperazinyl)-, N,N,N',N'-Tetramethyl-6-((phenylmethyl)thio)-2-(1-piperazinyl)-4,7-pteridinediamine, 6-Benzylthio-4,7-bis-(dimethylamino)-2-piperazino pteridine, 6-benzylsulfanyl-4-N,4-N,7-N,7-N-tetramethyl-2-piperazin-1-ylpteridine-4,7-diamine
| Molecular Formula | C21H28N8S |
|---|---|
| Molecular Weight | 424.22 g/mol |
| LogP | 2.2537 |
| Topological Polar Surface Area | 73.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.21576 |
| Heavy Atoms | 30 |
| Complexity | 1002.809 |
Chemical Identifiers
| CAS Number | 96801-80-8 |
|---|---|
| SMILES | CN(C)C1=NC(=NC2=C1N=C(C(=N2)N(C)C)SCC3=CC=CC=C3)N4CCNCC4 |
Product Overview
6-Benzylthio-4,7-bis(dimethylamino)-2-piperazino-pteridine (CAS 96801-80-8), with molecular formula C21H28N8S and molecular weight 424.22 g/mol. IUPAC: 6-benzylsulfanyl-4-N,4-N,7-N,7-N-tetramethyl-2-piperazin-1-ylpteridine-4,7-diamine.
Chemical Property Profile of 6-Benzylthio-4,7-bis(dimethylamino)-2-piperazino-pteridine
Property Insights of 6-Benzylthio-4,7-bis(dimethylamino)-2-piperazino-pteridine
The XLogP value of 2.2537 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Benzylthio-4,7-bis(dimethylamino)-2-piperazino-pteridine. The TPSA of 73.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Benzylthio-4,7-bis(dimethylamino)-2-piperazino-pteridine. Following Lipinski's Rule of Five, 6-Benzylthio-4,7-bis(dimethylamino)-2-piperazino-pteridine has 1 hydrogen bond donor(s) and 9 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 6-Benzylthio-4,7-bis(dimethylamino)-2-piperazino-pteridine?
The CAS number of 6-Benzylthio-4,7-bis(dimethylamino)-2-piperazino-pteridine is 96801-80-8.
What is the molecular formula of 6-Benzylthio-4,7-bis(dimethylamino)-2-piperazino-pteridine?
The molecular formula of 6-Benzylthio-4,7-bis(dimethylamino)-2-piperazino-pteridine is C21H28N8S.
What is the molecular weight of 6-Benzylthio-4,7-bis(dimethylamino)-2-piperazino-pteridine?
The molecular weight of 6-Benzylthio-4,7-bis(dimethylamino)-2-piperazino-pteridine is 424.22 g/mol.
Where can I buy 6-Benzylthio-4,7-bis(dimethylamino)-2-piperazino-pteridine?
You can request a quote for 6-Benzylthio-4,7-bis(dimethylamino)-2-piperazino-pteridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Benzylthio-4,7-bis(dimethylamino)-2-piperazino-pteridine?
Yes, KEHONG BIO provides custom synthesis services for 6-Benzylthio-4,7-bis(dimethylamino)-2-piperazino-pteridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.