9H-Purin-6-amine, 2-chloro-N-(3-nitrophenyl)-9-(phenylmethyl)-
TL;DR: 9H-Purin-6-amine, 2-chloro-N-(3-nitrophenyl)-9-(phenylmethyl)- (CAS 125802-63-3) is a chemical compound with molecular formula C18H13ClN6O2 and molecular weight 380.07886 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-benzyl-2-chloro-N-(3-nitrophenyl)purin-6-amine
Also Known As: 9H-Purin-6-amine, 2-chloro-N-(3-nitrophenyl)-9-(phenylmethyl)-, 9-benzyl-2-chloro-N-(3-nitrophenyl)purin-6-amine, 9-Benzyl-2-chloro-N-(3-nitrophenyl)-9H-purin-6-amine, 9-Benzyl-2-chloro-6-(3-nitrophenylamino)-9H-purine
Technical Specifications
| Molecular Formula | C18H13ClN6O2 |
| Molecular Weight | 380.07886 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.07886 Da |
| Heavy Atoms | 27 |
| Complexity | 515.0 |
| SMILES | C1=CC=C(C=C1)CN2C=NC3=C(N=C(N=C32)Cl)NC4=CC(=CC=C4)[N+](=O)[O-] |
| InChIKey | VDMGOGGMLMSBJI-UHFFFAOYSA-N |
Chemical Property Profile of 9H-Purin-6-amine, 2-chloro-N-(3-nitrophenyl)-9-(phenylmethyl)-
Property Insights of 9H-Purin-6-amine, 2-chloro-N-(3-nitrophenyl)-9-(phenylmethyl)-
The XLogP value of 4.3 indicates that 9H-Purin-6-amine, 2-chloro-N-(3-nitrophenyl)-9-(phenylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9H-Purin-6-amine, 2-chloro-N-(3-nitrophenyl)-9-(phenylmethyl)-. Following Lipinski's Rule of Five, 9H-Purin-6-amine, 2-chloro-N-(3-nitrophenyl)-9-(phenylmethyl)- 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
What is the CAS number of 9H-Purin-6-amine, 2-chloro-N-(3-nitrophenyl)-9-(phenylmethyl)-?
The CAS number of 9H-Purin-6-amine, 2-chloro-N-(3-nitrophenyl)-9-(phenylmethyl)- is 125802-63-3.
What is the molecular formula of 9H-Purin-6-amine, 2-chloro-N-(3-nitrophenyl)-9-(phenylmethyl)-?
The molecular formula of 9H-Purin-6-amine, 2-chloro-N-(3-nitrophenyl)-9-(phenylmethyl)- is C18H13ClN6O2.
What is the molecular weight of 9H-Purin-6-amine, 2-chloro-N-(3-nitrophenyl)-9-(phenylmethyl)-?
The molecular weight of 9H-Purin-6-amine, 2-chloro-N-(3-nitrophenyl)-9-(phenylmethyl)- is 380.07886 g/mol.
Where can I buy 9H-Purin-6-amine, 2-chloro-N-(3-nitrophenyl)-9-(phenylmethyl)-?
You can request a quote for 9H-Purin-6-amine, 2-chloro-N-(3-nitrophenyl)-9-(phenylmethyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 9H-Purin-6-amine, 2-chloro-N-(3-nitrophenyl)-9-(phenylmethyl)-?
Yes, CoreyChem provides custom synthesis services for 9H-Purin-6-amine, 2-chloro-N-(3-nitrophenyl)-9-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.