![8-(azepan-1-yl)-3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione structure](/static/products/6729/672935-69-2.webp)
8-(azepan-1-yl)-3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione
TL;DR: 8-(azepan-1-yl)-3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione (CAS 672935-69-2) is a chemical compound with molecular formula C18H25N7O2S2 and molecular weight 435.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(azepan-1-yl)-3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione
Also Known As: 8-(azepan-1-yl)-3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione, 8-(azepan-1-yl)-3-methyl-7-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C18H25N7O2S2 |
|---|---|
| Molecular Weight | 435.15 g/mol |
| LogP | 2.14602 |
| Topological Polar Surface Area | 101.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.15112 |
| Heavy Atoms | 29 |
| Complexity | 1105.7906 |
Chemical Identifiers
| CAS Number | 672935-69-2 |
|---|---|
| SMILES | CC1=NN=C(S1)SCCCN2C3=C(N=C2N4CCCCCC4)N(C(=O)NC3=O)C |
Product Overview
8-(azepan-1-yl)-3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione (CAS 672935-69-2), with molecular formula C18H25N7O2S2 and molecular weight 435.15 g/mol. IUPAC: 8-(azepan-1-yl)-3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione.
Chemical Property Profile of 8-(azepan-1-yl)-3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione
Property Insights of 8-(azepan-1-yl)-3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione
The XLogP value of 2.14602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(azepan-1-yl)-3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione. The TPSA of 101.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(azepan-1-yl)-3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione. Following Lipinski's Rule of Five, 8-(azepan-1-yl)-3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione has 1 hydrogen bond donor(s) and 8 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 8-(azepan-1-yl)-3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione?
The CAS number of 8-(azepan-1-yl)-3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione is 672935-69-2.
What is the molecular formula of 8-(azepan-1-yl)-3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione?
The molecular formula of 8-(azepan-1-yl)-3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione is C18H25N7O2S2.
What is the molecular weight of 8-(azepan-1-yl)-3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione?
The molecular weight of 8-(azepan-1-yl)-3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione is 435.15 g/mol.
Where can I buy 8-(azepan-1-yl)-3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione?
You can request a quote for 8-(azepan-1-yl)-3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]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 8-(azepan-1-yl)-3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(azepan-1-yl)-3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.