Purin-8(9H)-one, 9-benzyl-6-chloro-
TL;DR: Purin-8(9H)-one, 9-benzyl-6-chloro- (CAS 21266-37-5) is a chemical compound with molecular formula C12H9ClN4O and molecular weight 260.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-benzyl-6-chloro-7H-purin-8-one
Also Known As: 9-benzyl-6-chloro-7H-purin-8-one, Purin-8(9H)-one, 9-benzyl-6-chloro-, 9-benzyl-6-chloro-7H-purin-8(9H)-one, J2.855.397H, 9-benzyl-6-chloro-8,9-dihydro-7H-purin-8-one
| Molecular Formula | C12H9ClN4O |
|---|---|
| Molecular Weight | 260.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 58.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.04648 |
| Heavy Atoms | 18 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 21266-37-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)Cl)NC2=O |
| InChIKey | URBCXJFWJSOASL-UHFFFAOYSA-N |
Product Overview
Purin-8(9H)-one, 9-benzyl-6-chloro- (CAS 21266-37-5), with molecular formula C12H9ClN4O and molecular weight 260.05 g/mol. IUPAC: 9-benzyl-6-chloro-7H-purin-8-one.
Chemical Property Profile of Purin-8(9H)-one, 9-benzyl-6-chloro-
Property Insights of Purin-8(9H)-one, 9-benzyl-6-chloro-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Purin-8(9H)-one, 9-benzyl-6-chloro-. With a topological polar surface area (TPSA) of 58.1 Ų, Purin-8(9H)-one, 9-benzyl-6-chloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Purin-8(9H)-one, 9-benzyl-6-chloro- has 1 hydrogen bond donor(s) and 3 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 Purin-8(9H)-one, 9-benzyl-6-chloro-?
The CAS number of Purin-8(9H)-one, 9-benzyl-6-chloro- is 21266-37-5.
What is the molecular formula of Purin-8(9H)-one, 9-benzyl-6-chloro-?
The molecular formula of Purin-8(9H)-one, 9-benzyl-6-chloro- is C12H9ClN4O.
What is the molecular weight of Purin-8(9H)-one, 9-benzyl-6-chloro-?
The molecular weight of Purin-8(9H)-one, 9-benzyl-6-chloro- is 260.05 g/mol.
Where can I buy Purin-8(9H)-one, 9-benzyl-6-chloro-?
You can request a quote for Purin-8(9H)-one, 9-benzyl-6-chloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Purin-8(9H)-one, 9-benzyl-6-chloro-?
Yes, KEHONG BIO provides custom synthesis services for Purin-8(9H)-one, 9-benzyl-6-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.