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 380.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C18H13ClN6O2 |
|---|---|
| Molecular Weight | 380.08 g/mol |
| LogP | 4.1798 |
| Topological Polar Surface Area | 98.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.07886 |
| Heavy Atoms | 27 |
| Complexity | 1129.3721 |
Chemical Identifiers
| CAS Number | 125802-63-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=NC3=C(N=C(N=C32)Cl)NC4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
9H-Purin-6-amine, 2-chloro-N-(3-nitrophenyl)-9-(phenylmethyl)- (CAS 125802-63-3), with molecular formula C18H13ClN6O2 and molecular weight 380.08 g/mol. IUPAC: 9-benzyl-2-chloro-N-(3-nitrophenyl)purin-6-amine.
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 4.1798 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 98.77 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
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 380.08 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-Purin-6-amine, 2-chloro-N-(3-nitrophenyl)-9-(phenylmethyl)-?
Yes, KEHONG BIO 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.