8-(3-Chloro-2-hydroxypropyl)sulfanyl-7-hexadecyl-3-methylpurine-2,6-dione
TL;DR: 8-(3-Chloro-2-hydroxypropyl)sulfanyl-7-hexadecyl-3-methylpurine-2,6-dione (CAS 316357-80-9) is a chemical compound with molecular formula C25H43ClN4O3S and molecular weight 514.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3-chloro-2-hydroxypropyl)sulfanyl-7-hexadecyl-3-methylpurine-2,6-dione
Also Known As: BAS 00512119, 8-(3-chloro-2-hydroxypropyl)sulfanyl-7-hexadecyl-3-methylpurine-2,6-dione, 8-[(3-chloro-2-hydroxypropyl)sulfanyl]-7-hexadecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 8-[(3-chloro-2-hydroxypropyl)sulfanyl]-7-hexadecyl-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-((3-chloro-2-hydroxypropyl)thio)-7-hexadecyl-3-methyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C25H43ClN4O3S |
|---|---|
| Molecular Weight | 514.27 g/mol |
| LogP | 5.5964 |
| Topological Polar Surface Area | 92.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 19 |
| Exact Mass | 514.2744 |
| Heavy Atoms | 34 |
| Complexity | 956.00946 |
Chemical Identifiers
| CAS Number | 316357-80-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCN1C2=C(N=C1SCC(CCl)O)N(C(=O)NC2=O)C |
Product Overview
8-(3-Chloro-2-hydroxypropyl)sulfanyl-7-hexadecyl-3-methylpurine-2,6-dione (CAS 316357-80-9), with molecular formula C25H43ClN4O3S and molecular weight 514.27 g/mol. IUPAC: 8-(3-chloro-2-hydroxypropyl)sulfanyl-7-hexadecyl-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-(3-Chloro-2-hydroxypropyl)sulfanyl-7-hexadecyl-3-methylpurine-2,6-dione
Property Insights of 8-(3-Chloro-2-hydroxypropyl)sulfanyl-7-hexadecyl-3-methylpurine-2,6-dione
The XLogP value of 5.5964 indicates that 8-(3-Chloro-2-hydroxypropyl)sulfanyl-7-hexadecyl-3-methylpurine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(3-Chloro-2-hydroxypropyl)sulfanyl-7-hexadecyl-3-methylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-(3-Chloro-2-hydroxypropyl)sulfanyl-7-hexadecyl-3-methylpurine-2,6-dione has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-(3-Chloro-2-hydroxypropyl)sulfanyl-7-hexadecyl-3-methylpurine-2,6-dione?
The CAS number of 8-(3-Chloro-2-hydroxypropyl)sulfanyl-7-hexadecyl-3-methylpurine-2,6-dione is 316357-80-9.
What is the molecular formula of 8-(3-Chloro-2-hydroxypropyl)sulfanyl-7-hexadecyl-3-methylpurine-2,6-dione?
The molecular formula of 8-(3-Chloro-2-hydroxypropyl)sulfanyl-7-hexadecyl-3-methylpurine-2,6-dione is C25H43ClN4O3S.
What is the molecular weight of 8-(3-Chloro-2-hydroxypropyl)sulfanyl-7-hexadecyl-3-methylpurine-2,6-dione?
The molecular weight of 8-(3-Chloro-2-hydroxypropyl)sulfanyl-7-hexadecyl-3-methylpurine-2,6-dione is 514.27 g/mol.
Where can I buy 8-(3-Chloro-2-hydroxypropyl)sulfanyl-7-hexadecyl-3-methylpurine-2,6-dione?
You can request a quote for 8-(3-Chloro-2-hydroxypropyl)sulfanyl-7-hexadecyl-3-methylpurine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(3-Chloro-2-hydroxypropyl)sulfanyl-7-hexadecyl-3-methylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(3-Chloro-2-hydroxypropyl)sulfanyl-7-hexadecyl-3-methylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.