![6-[(3,4-dichlorophenyl)methylsulfanyl]-7H-purine structure](/static/products/5461/5461-09-6.webp)
6-[(3,4-dichlorophenyl)methylsulfanyl]-7H-purine
TL;DR: 6-[(3,4-dichlorophenyl)methylsulfanyl]-7H-purine (CAS 5461-09-6) is a chemical compound with molecular formula C12H8Cl2N4S and molecular weight 309.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(3,4-dichlorophenyl)methylsulfanyl]-7H-purine
Also Known As: 6-[(3,4-dichlorophenyl)methylsulfanyl]-7H-purine, 6-{[(3,4-Dichlorophenyl)methyl]sulfanyl}-7H-purine
| Molecular Formula | C12H8Cl2N4S |
|---|---|
| Molecular Weight | 309.98 g/mol |
| LogP | 3.952 |
| Topological Polar Surface Area | 54.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.98468 |
| Heavy Atoms | 19 |
| Complexity | 728.5762 |
Chemical Identifiers
| CAS Number | 5461-09-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1CSC2=NC=NC3=C2NC=N3)Cl)Cl |
Product Overview
6-[(3,4-dichlorophenyl)methylsulfanyl]-7H-purine (CAS 5461-09-6), with molecular formula C12H8Cl2N4S and molecular weight 309.98 g/mol. IUPAC: 6-[(3,4-dichlorophenyl)methylsulfanyl]-7H-purine.
Chemical Property Profile of 6-[(3,4-dichlorophenyl)methylsulfanyl]-7H-purine
Property Insights of 6-[(3,4-dichlorophenyl)methylsulfanyl]-7H-purine
The XLogP value of 3.952 indicates that 6-[(3,4-dichlorophenyl)methylsulfanyl]-7H-purine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.46 Ų, 6-[(3,4-dichlorophenyl)methylsulfanyl]-7H-purine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-[(3,4-dichlorophenyl)methylsulfanyl]-7H-purine 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 6-[(3,4-dichlorophenyl)methylsulfanyl]-7H-purine?
The CAS number of 6-[(3,4-dichlorophenyl)methylsulfanyl]-7H-purine is 5461-09-6.
What is the molecular formula of 6-[(3,4-dichlorophenyl)methylsulfanyl]-7H-purine?
The molecular formula of 6-[(3,4-dichlorophenyl)methylsulfanyl]-7H-purine is C12H8Cl2N4S.
What is the molecular weight of 6-[(3,4-dichlorophenyl)methylsulfanyl]-7H-purine?
The molecular weight of 6-[(3,4-dichlorophenyl)methylsulfanyl]-7H-purine is 309.98 g/mol.
Where can I buy 6-[(3,4-dichlorophenyl)methylsulfanyl]-7H-purine?
You can request a quote for 6-[(3,4-dichlorophenyl)methylsulfanyl]-7H-purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[(3,4-dichlorophenyl)methylsulfanyl]-7H-purine?
Yes, KEHONG BIO provides custom synthesis services for 6-[(3,4-dichlorophenyl)methylsulfanyl]-7H-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.