Benzyl (6-chloro-8-oxo-7H-purin-9(8H)-yl)carbamate
TL;DR: Benzyl (6-chloro-8-oxo-7H-purin-9(8H)-yl)carbamate (CAS 152490-56-7) is a chemical compound with molecular formula C13H10ClN5O3 and molecular weight 319.0472 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl N-(6-chloro-8-oxo-7H-purin-9-yl)carbamate
Also Known As: Benzyl (6-chloro-8-oxo-7H-purin-9(8H)-yl)carbamate, benzyl N-(6-chloro-8-oxo-7H-purin-9-yl)carbamate, benzyl(6-chloro-8-oxo-7,8-dihydro-9h-purin-9-yl)carbamate, N-(6-chloro-8-oxo-8,9-dihydro-7H-purin-9-yl)(benzyloxy)formamide, benzyl (6-chloro-8-oxo-7,8-dihydro-9H-purin-9-yl)carbamate
Technical Specifications
| Molecular Formula | C13H10ClN5O3 |
| Molecular Weight | 319.0472 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 96.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.0472 Da |
| Heavy Atoms | 22 |
| Complexity | 432.0 |
| SMILES | C1=CC=C(C=C1)COC(=O)NN2C3=C(C(=NC=N3)Cl)NC2=O |
| InChIKey | GULCNIDVHRVORR-UHFFFAOYSA-N |
Chemical Property Profile of Benzyl (6-chloro-8-oxo-7H-purin-9(8H)-yl)carbamate
Property Insights of Benzyl (6-chloro-8-oxo-7H-purin-9(8H)-yl)carbamate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl (6-chloro-8-oxo-7H-purin-9(8H)-yl)carbamate. The TPSA of 96.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl (6-chloro-8-oxo-7H-purin-9(8H)-yl)carbamate. Following Lipinski's Rule of Five, Benzyl (6-chloro-8-oxo-7H-purin-9(8H)-yl)carbamate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzyl (6-chloro-8-oxo-7H-purin-9(8H)-yl)carbamate?
The CAS number of Benzyl (6-chloro-8-oxo-7H-purin-9(8H)-yl)carbamate is 152490-56-7.
What is the molecular formula of Benzyl (6-chloro-8-oxo-7H-purin-9(8H)-yl)carbamate?
The molecular formula of Benzyl (6-chloro-8-oxo-7H-purin-9(8H)-yl)carbamate is C13H10ClN5O3.
What is the molecular weight of Benzyl (6-chloro-8-oxo-7H-purin-9(8H)-yl)carbamate?
The molecular weight of Benzyl (6-chloro-8-oxo-7H-purin-9(8H)-yl)carbamate is 319.0472 g/mol.
Where can I buy Benzyl (6-chloro-8-oxo-7H-purin-9(8H)-yl)carbamate?
You can request a quote for Benzyl (6-chloro-8-oxo-7H-purin-9(8H)-yl)carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzyl (6-chloro-8-oxo-7H-purin-9(8H)-yl)carbamate?
Yes, CoreyChem provides custom synthesis services for Benzyl (6-chloro-8-oxo-7H-purin-9(8H)-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.