![1-Methyl-6,7,8,9-tetrahydropurino[8,7-b][1,3]thiazepine-2,4-dione structure](/static/products/1784/178452-73-8.webp)
1-Methyl-6,7,8,9-tetrahydropurino[8,7-b][1,3]thiazepine-2,4-dione
TL;DR: 1-Methyl-6,7,8,9-tetrahydropurino[8,7-b][1,3]thiazepine-2,4-dione (CAS 178452-73-8) is a chemical compound with molecular formula C10H12N4O2S and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-6,7,8,9-tetrahydropurino[8,7-b][1,3]thiazepine-2,4-dione
Also Known As: 1-methyl-6,7,8,9-tetrahydro[1,3]thiazepino[2,3-f]purine-2,4(1H,3H)-dione, 1-methyl-6,7,8,9-tetrahydropurino[8,7-b][1,3]thiazepine-2,4-dione, 1-methyl-6,7,8,9-tetrahydro-[1,3]thiazepino[2,3-f]purine-2,4(1H,3H)-dione, 1H-9-Thia-1,3,4b,10-tetraazabenzo[a]azulene-2,4-dione, 1-methyl-5,6,7,8-tetrahydro-
| Molecular Formula | C10H12N4O2S |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 0.3092 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 252.0681 |
| Heavy Atoms | 17 |
| Complexity | 696.6194 |
Chemical Identifiers
| CAS Number | 178452-73-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N3CCCCSC3=N2 |
Product Overview
1-Methyl-6,7,8,9-tetrahydropurino[8,7-b][1,3]thiazepine-2,4-dione (CAS 178452-73-8), with molecular formula C10H12N4O2S and molecular weight 252.07 g/mol. IUPAC: 1-methyl-6,7,8,9-tetrahydropurino[8,7-b][1,3]thiazepine-2,4-dione.
Chemical Property Profile of 1-Methyl-6,7,8,9-tetrahydropurino[8,7-b][1,3]thiazepine-2,4-dione
Property Insights of 1-Methyl-6,7,8,9-tetrahydropurino[8,7-b][1,3]thiazepine-2,4-dione
The XLogP value of 0.3092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-6,7,8,9-tetrahydropurino[8,7-b][1,3]thiazepine-2,4-dione. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-6,7,8,9-tetrahydropurino[8,7-b][1,3]thiazepine-2,4-dione. Following Lipinski's Rule of Five, 1-Methyl-6,7,8,9-tetrahydropurino[8,7-b][1,3]thiazepine-2,4-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 1-Methyl-6,7,8,9-tetrahydropurino[8,7-b][1,3]thiazepine-2,4-dione?
The CAS number of 1-Methyl-6,7,8,9-tetrahydropurino[8,7-b][1,3]thiazepine-2,4-dione is 178452-73-8.
What is the molecular formula of 1-Methyl-6,7,8,9-tetrahydropurino[8,7-b][1,3]thiazepine-2,4-dione?
The molecular formula of 1-Methyl-6,7,8,9-tetrahydropurino[8,7-b][1,3]thiazepine-2,4-dione is C10H12N4O2S.
What is the molecular weight of 1-Methyl-6,7,8,9-tetrahydropurino[8,7-b][1,3]thiazepine-2,4-dione?
The molecular weight of 1-Methyl-6,7,8,9-tetrahydropurino[8,7-b][1,3]thiazepine-2,4-dione is 252.07 g/mol.
Where can I buy 1-Methyl-6,7,8,9-tetrahydropurino[8,7-b][1,3]thiazepine-2,4-dione?
You can request a quote for 1-Methyl-6,7,8,9-tetrahydropurino[8,7-b][1,3]thiazepine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-6,7,8,9-tetrahydropurino[8,7-b][1,3]thiazepine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-6,7,8,9-tetrahydropurino[8,7-b][1,3]thiazepine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.