9H-Purin-6-amine,8-ethyl-9-methyl
TL;DR: 9H-Purin-6-amine,8-ethyl-9-methyl (CAS 116989-80-1) is a chemical compound with molecular formula C25H17ClN6O2S and molecular weight 500.0822 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[5-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: 9H-Purin-6-amine,8-ethyl-9-methyl, Acetic acid, ((5-((9-chloro-6H-indolo(2,3-b)quinoxalin-6-yl)methyl)-1-phenyl-1H-1,3,4-triazol-2-yl)thio)-, 2-[[5-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid, Acetic acid,2-[[5-[(9-chloro-6H-indolo[2,3-b]quinoxalin-6-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, ({5-[(9-Chloro-6H-indolo[2,3-b]quinoxalin-6-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
Technical Specifications
| Molecular Formula | C25H17ClN6O2S |
| Molecular Weight | 500.0822 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 500.0822 Da |
| Heavy Atoms | 35 |
| Complexity | 759.0 |
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)CN3C4=C(C=C(C=C4)Cl)C5=NC6=CC=CC=C6N=C53 |
| InChIKey | HSYYLWOSFDESJG-UHFFFAOYSA-N |
Chemical Property Profile of 9H-Purin-6-amine,8-ethyl-9-methyl
Property Insights of 9H-Purin-6-amine,8-ethyl-9-methyl
The XLogP value of 4.6 indicates that 9H-Purin-6-amine,8-ethyl-9-methyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9H-Purin-6-amine,8-ethyl-9-methyl. Following Lipinski's Rule of Five, 9H-Purin-6-amine,8-ethyl-9-methyl has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 9H-Purin-6-amine,8-ethyl-9-methyl?
The CAS number of 9H-Purin-6-amine,8-ethyl-9-methyl is 116989-80-1.
What is the molecular formula of 9H-Purin-6-amine,8-ethyl-9-methyl?
The molecular formula of 9H-Purin-6-amine,8-ethyl-9-methyl is C25H17ClN6O2S.
What is the molecular weight of 9H-Purin-6-amine,8-ethyl-9-methyl?
The molecular weight of 9H-Purin-6-amine,8-ethyl-9-methyl is 500.0822 g/mol.
Where can I buy 9H-Purin-6-amine,8-ethyl-9-methyl?
You can request a quote for 9H-Purin-6-amine,8-ethyl-9-methyl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 9H-Purin-6-amine,8-ethyl-9-methyl?
Yes, CoreyChem provides custom synthesis services for 9H-Purin-6-amine,8-ethyl-9-methyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.