7-isopentyl-3-methyl-8-(pentylthio)-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-isopentyl-3-methyl-8-(pentylthio)-1H-purine-2,6(3H,7H)-dione (CAS 313470-57-4) is a chemical compound with molecular formula C16H26N4O2S and molecular weight 338.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-(3-methylbutyl)-8-pentylsulfanylpurine-2,6-dione
Also Known As: 7-isopentyl-3-methyl-8-(pentylthio)-1H-purine-2,6(3H,7H)-dione, UPCMLD0ENAT5732024:001, BAS 00288325, 3-methyl-7-(3-methylbutyl)-8-pentylsulfanylpurine-2,6-dione, F0381-3505
| Molecular Formula | C16H26N4O2S |
|---|---|
| Molecular Weight | 338.18 g/mol |
| LogP | 2.7517 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 338.17764 |
| Heavy Atoms | 23 |
| Complexity | 772.7038 |
Chemical Identifiers
| CAS Number | 313470-57-4 |
|---|---|
| SMILES | CCCCCSC1=NC2=C(N1CCC(C)C)C(=O)NC(=O)N2C |
Product Overview
7-isopentyl-3-methyl-8-(pentylthio)-1H-purine-2,6(3H,7H)-dione (CAS 313470-57-4), with molecular formula C16H26N4O2S and molecular weight 338.18 g/mol. IUPAC: 3-methyl-7-(3-methylbutyl)-8-pentylsulfanylpurine-2,6-dione.
Chemical Property Profile of 7-isopentyl-3-methyl-8-(pentylthio)-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-isopentyl-3-methyl-8-(pentylthio)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.7517 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-isopentyl-3-methyl-8-(pentylthio)-1H-purine-2,6(3H,7H)-dione. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-isopentyl-3-methyl-8-(pentylthio)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-isopentyl-3-methyl-8-(pentylthio)-1H-purine-2,6(3H,7H)-dione 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 7-isopentyl-3-methyl-8-(pentylthio)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-isopentyl-3-methyl-8-(pentylthio)-1H-purine-2,6(3H,7H)-dione is 313470-57-4.
What is the molecular formula of 7-isopentyl-3-methyl-8-(pentylthio)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-isopentyl-3-methyl-8-(pentylthio)-1H-purine-2,6(3H,7H)-dione is C16H26N4O2S.
What is the molecular weight of 7-isopentyl-3-methyl-8-(pentylthio)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-isopentyl-3-methyl-8-(pentylthio)-1H-purine-2,6(3H,7H)-dione is 338.18 g/mol.
Where can I buy 7-isopentyl-3-methyl-8-(pentylthio)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-isopentyl-3-methyl-8-(pentylthio)-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-isopentyl-3-methyl-8-(pentylthio)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-isopentyl-3-methyl-8-(pentylthio)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.