2-chloro-6-(3,4-dimethoxyphenyl)sulfanyl-7H-purine
TL;DR: 2-chloro-6-(3,4-dimethoxyphenyl)sulfanyl-7H-purine (CAS 646510-56-7) is a chemical compound with molecular formula C13H11ClN4O2S and molecular weight 322.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-6-(3,4-dimethoxyphenyl)sulfanyl-7H-purine
Also Known As: 2-chloro-6-(3,4-dimethoxyphenyl)sulfanyl-7H-purine, 2-Chloro-6-((3,4-dimethoxyphenyl)thio)-1H-purine, 1H-Purine, 2-chloro-6-[(3,4-dimethoxyphenyl)thio]-, 2-chloro-6-(3,4-dimethoxyphenyl)sulfanyl-9H-purine, 2-Chloro-6-[(3,4-dimethoxyphenyl)sulfanyl]-7H-purine
| Molecular Formula | C13H11ClN4O2S |
|---|---|
| Molecular Weight | 322.03 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 98.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.0291 |
| Heavy Atoms | 21 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 646510-56-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)SC2=NC(=NC3=C2NC=N3)Cl)OC |
| InChIKey | YGJNNFVGUIHMNZ-UHFFFAOYSA-N |
Product Overview
2-chloro-6-(3,4-dimethoxyphenyl)sulfanyl-7H-purine (CAS 646510-56-7), with molecular formula C13H11ClN4O2S and molecular weight 322.03 g/mol. IUPAC: 2-chloro-6-(3,4-dimethoxyphenyl)sulfanyl-7H-purine.
Chemical Property Profile of 2-chloro-6-(3,4-dimethoxyphenyl)sulfanyl-7H-purine
Property Insights of 2-chloro-6-(3,4-dimethoxyphenyl)sulfanyl-7H-purine
The XLogP value of 3.4 indicates that 2-chloro-6-(3,4-dimethoxyphenyl)sulfanyl-7H-purine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-6-(3,4-dimethoxyphenyl)sulfanyl-7H-purine. Following Lipinski's Rule of Five, 2-chloro-6-(3,4-dimethoxyphenyl)sulfanyl-7H-purine 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 2-chloro-6-(3,4-dimethoxyphenyl)sulfanyl-7H-purine?
The CAS number of 2-chloro-6-(3,4-dimethoxyphenyl)sulfanyl-7H-purine is 646510-56-7.
What is the molecular formula of 2-chloro-6-(3,4-dimethoxyphenyl)sulfanyl-7H-purine?
The molecular formula of 2-chloro-6-(3,4-dimethoxyphenyl)sulfanyl-7H-purine is C13H11ClN4O2S.
What is the molecular weight of 2-chloro-6-(3,4-dimethoxyphenyl)sulfanyl-7H-purine?
The molecular weight of 2-chloro-6-(3,4-dimethoxyphenyl)sulfanyl-7H-purine is 322.03 g/mol.
Where can I buy 2-chloro-6-(3,4-dimethoxyphenyl)sulfanyl-7H-purine?
You can request a quote for 2-chloro-6-(3,4-dimethoxyphenyl)sulfanyl-7H-purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-6-(3,4-dimethoxyphenyl)sulfanyl-7H-purine?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-6-(3,4-dimethoxyphenyl)sulfanyl-7H-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.