3-methyl-7-octyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 3-methyl-7-octyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 316359-25-8) is a chemical compound with molecular formula C22H38N4O2S and molecular weight 422.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-octyl-8-octylsulfanylpurine-2,6-dione
Also Known As: 3-methyl-7-octyl-8-octylsulfanylpurine-2,6-dione, UPCMLD0ENAT5834944:001, 3-methyl-7-octyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione, BAS 00520351, AB00988458-01
| Molecular Formula | C22H38N4O2S |
|---|---|
| Molecular Weight | 422.27 g/mol |
| LogP | 5.2364 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 422.27155 |
| Heavy Atoms | 29 |
| Complexity | 852.8399 |
Chemical Identifiers
| CAS Number | 316359-25-8 |
|---|---|
| SMILES | CCCCCCCCN1C2=C(N=C1SCCCCCCCC)N(C(=O)NC2=O)C |
Product Overview
3-methyl-7-octyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 316359-25-8), with molecular formula C22H38N4O2S and molecular weight 422.27 g/mol. IUPAC: 3-methyl-7-octyl-8-octylsulfanylpurine-2,6-dione.
Chemical Property Profile of 3-methyl-7-octyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 3-methyl-7-octyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 5.2364 indicates that 3-methyl-7-octyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-7-octyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 3-methyl-7-octyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-methyl-7-octyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 3-methyl-7-octyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione is 316359-25-8.
What is the molecular formula of 3-methyl-7-octyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 3-methyl-7-octyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione is C22H38N4O2S.
What is the molecular weight of 3-methyl-7-octyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 3-methyl-7-octyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione is 422.27 g/mol.
Where can I buy 3-methyl-7-octyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 3-methyl-7-octyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-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 3-methyl-7-octyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-7-octyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.