1-(Thietan-3-yl)-1,9-dihydro-purin-6-one
TL;DR: 1-(Thietan-3-yl)-1,9-dihydro-purin-6-one (CAS 129205-12-5) is a chemical compound with molecular formula C8H8N4OS and molecular weight 208.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(thietan-3-yl)-7H-purin-6-one
Also Known As: 1-(thietan-3-yl)-7H-purin-6-one, 1-(thietan-3-yl)-1H-purin-6(7H)-one, 1-(Thietan-3-yl)-9H-purin-6(1H)-one, 1-(thietan-3-yl)-1,7-dihydropurin-6-one, 1-(thietan-3-yl)-1,9-dihydro-purin-6-one
| Molecular Formula | C8H8N4OS |
|---|---|
| Molecular Weight | 208.04 g/mol |
| LogP | 0.4075 |
| Topological Polar Surface Area | 63.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.04189 |
| Heavy Atoms | 14 |
| Complexity | 527.36597 |
Chemical Identifiers
| CAS Number | 129205-12-5 |
|---|---|
| SMILES | C1C(CS1)N2C=NC3=C(C2=O)NC=N3 |
Product Overview
1-(Thietan-3-yl)-1,9-dihydro-purin-6-one (CAS 129205-12-5), with molecular formula C8H8N4OS and molecular weight 208.04 g/mol. IUPAC: 1-(thietan-3-yl)-7H-purin-6-one.
Chemical Property Profile of 1-(Thietan-3-yl)-1,9-dihydro-purin-6-one
Property Insights of 1-(Thietan-3-yl)-1,9-dihydro-purin-6-one
The XLogP value of 0.4075 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Thietan-3-yl)-1,9-dihydro-purin-6-one. The TPSA of 63.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Thietan-3-yl)-1,9-dihydro-purin-6-one. Following Lipinski's Rule of Five, 1-(Thietan-3-yl)-1,9-dihydro-purin-6-one 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 1-(Thietan-3-yl)-1,9-dihydro-purin-6-one?
The CAS number of 1-(Thietan-3-yl)-1,9-dihydro-purin-6-one is 129205-12-5.
What is the molecular formula of 1-(Thietan-3-yl)-1,9-dihydro-purin-6-one?
The molecular formula of 1-(Thietan-3-yl)-1,9-dihydro-purin-6-one is C8H8N4OS.
What is the molecular weight of 1-(Thietan-3-yl)-1,9-dihydro-purin-6-one?
The molecular weight of 1-(Thietan-3-yl)-1,9-dihydro-purin-6-one is 208.04 g/mol.
Where can I buy 1-(Thietan-3-yl)-1,9-dihydro-purin-6-one?
You can request a quote for 1-(Thietan-3-yl)-1,9-dihydro-purin-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Thietan-3-yl)-1,9-dihydro-purin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(Thietan-3-yl)-1,9-dihydro-purin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.