1H-Purine, 8-(4-chloro-2-methoxyphenyl)-, monohydrochloride
TL;DR: 1H-Purine, 8-(4-chloro-2-methoxyphenyl)-, monohydrochloride (CAS 77456-51-0) is a chemical compound with molecular formula C12H10Cl2N4O and molecular weight 296.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-chloro-2-methoxyphenyl)-7H-purine;hydrochloride
Also Known As: 1H-Purine, 8-(4-chloro-2-methoxyphenyl)-, monohydrochloride, 8-(4-Chlor-2-methoxy-phenyl)-purin-hydrochlorid, 8-(4-Chloro-2-methoxyphenyl)-1H-purine monohydrochloride, 8-(4-Chlor-2-methoxy-phenyl)-purin-hydrochlorid [German], 8-(4-chloro-2-methoxyphenyl)-7H-purine hydrochloride
| Molecular Formula | C12H10Cl2N4O |
|---|---|
| Molecular Weight | 296.02 g/mol |
| LogP | 3.1037 |
| Topological Polar Surface Area | 63.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.02316 |
| Heavy Atoms | 19 |
| Complexity | 680.7708 |
Chemical Identifiers
| CAS Number | 77456-51-0 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)Cl)C2=NC3=NC=NC=C3N2.Cl |
Product Overview
1H-Purine, 8-(4-chloro-2-methoxyphenyl)-, monohydrochloride (CAS 77456-51-0), with molecular formula C12H10Cl2N4O and molecular weight 296.02 g/mol. IUPAC: 8-(4-chloro-2-methoxyphenyl)-7H-purine;hydrochloride.
Chemical Property Profile of 1H-Purine, 8-(4-chloro-2-methoxyphenyl)-, monohydrochloride
Property Insights of 1H-Purine, 8-(4-chloro-2-methoxyphenyl)-, monohydrochloride
The XLogP value of 3.1037 indicates that 1H-Purine, 8-(4-chloro-2-methoxyphenyl)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Purine, 8-(4-chloro-2-methoxyphenyl)-, monohydrochloride. Following Lipinski's Rule of Five, 1H-Purine, 8-(4-chloro-2-methoxyphenyl)-, monohydrochloride has 1 hydrogen bond donor(s) and 4 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 1H-Purine, 8-(4-chloro-2-methoxyphenyl)-, monohydrochloride?
The CAS number of 1H-Purine, 8-(4-chloro-2-methoxyphenyl)-, monohydrochloride is 77456-51-0.
What is the molecular formula of 1H-Purine, 8-(4-chloro-2-methoxyphenyl)-, monohydrochloride?
The molecular formula of 1H-Purine, 8-(4-chloro-2-methoxyphenyl)-, monohydrochloride is C12H10Cl2N4O.
What is the molecular weight of 1H-Purine, 8-(4-chloro-2-methoxyphenyl)-, monohydrochloride?
The molecular weight of 1H-Purine, 8-(4-chloro-2-methoxyphenyl)-, monohydrochloride is 296.02 g/mol.
Where can I buy 1H-Purine, 8-(4-chloro-2-methoxyphenyl)-, monohydrochloride?
You can request a quote for 1H-Purine, 8-(4-chloro-2-methoxyphenyl)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Purine, 8-(4-chloro-2-methoxyphenyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1H-Purine, 8-(4-chloro-2-methoxyphenyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.