1H-Azepine, hexahydro-1-((1,4,6,7-tetrahydro-1-methyl-2,4-dioxothiazolo(2,3-f)purin-3(2H)-yl)acetyl)-
TL;DR: 1H-Azepine, hexahydro-1-((1,4,6,7-tetrahydro-1-methyl-2,4-dioxothiazolo(2,3-f)purin-3(2H)-yl)acetyl)- (CAS 178452-83-0) is a chemical compound with molecular formula C16H21N5O3S and molecular weight 363.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(azepan-1-yl)-2-oxoethyl]-4-methyl-7,8-dihydropurino[8,7-b][1,3]thiazole-1,3-dione
Also Known As: 1H-Azepine, hexahydro-1-((1,4,6,7-tetrahydro-1-methyl-2,4-dioxothiazolo(2,3-f)purin-3(2H)-yl)acetyl)-, 2-[2-(azepan-1-yl)-2-oxoethyl]-4-methyl-7,8-dihydropurino[8,7-b][1,3]thiazole-1,3-dione, 3-[2-(Azepan-1-yl)-2-oxoethyl]-1-methyl-6,7-dihydro[1,3]thiazolo[2,3-f]purine-2,4(1H,3H)-dione, RefChem:237348
| Molecular Formula | C16H21N5O3S |
|---|---|
| Molecular Weight | 363.14 g/mol |
| LogP | 0.405 |
| Topological Polar Surface Area | 82.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 363.1365 |
| Heavy Atoms | 25 |
| Complexity | 949.30164 |
Chemical Identifiers
| CAS Number | 178452-83-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CC(=O)N3CCCCCC3)N4CCSC4=N2 |
Product Overview
1H-Azepine, hexahydro-1-((1,4,6,7-tetrahydro-1-methyl-2,4-dioxothiazolo(2,3-f)purin-3(2H)-yl)acetyl)- (CAS 178452-83-0), with molecular formula C16H21N5O3S and molecular weight 363.14 g/mol. IUPAC: 2-[2-(azepan-1-yl)-2-oxoethyl]-4-methyl-7,8-dihydropurino[8,7-b][1,3]thiazole-1,3-dione.
Chemical Property Profile of 1H-Azepine, hexahydro-1-((1,4,6,7-tetrahydro-1-methyl-2,4-dioxothiazolo(2,3-f)purin-3(2H)-yl)acetyl)-
Property Insights of 1H-Azepine, hexahydro-1-((1,4,6,7-tetrahydro-1-methyl-2,4-dioxothiazolo(2,3-f)purin-3(2H)-yl)acetyl)-
The XLogP value of 0.405 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Azepine, hexahydro-1-((1,4,6,7-tetrahydro-1-methyl-2,4-dioxothiazolo(2,3-f)purin-3(2H)-yl)acetyl)-. The TPSA of 82.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Azepine, hexahydro-1-((1,4,6,7-tetrahydro-1-methyl-2,4-dioxothiazolo(2,3-f)purin-3(2H)-yl)acetyl)-. Following Lipinski's Rule of Five, 1H-Azepine, hexahydro-1-((1,4,6,7-tetrahydro-1-methyl-2,4-dioxothiazolo(2,3-f)purin-3(2H)-yl)acetyl)- has 0 hydrogen bond donor(s) and 5 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 1H-Azepine, hexahydro-1-((1,4,6,7-tetrahydro-1-methyl-2,4-dioxothiazolo(2,3-f)purin-3(2H)-yl)acetyl)-?
The CAS number of 1H-Azepine, hexahydro-1-((1,4,6,7-tetrahydro-1-methyl-2,4-dioxothiazolo(2,3-f)purin-3(2H)-yl)acetyl)- is 178452-83-0.
What is the molecular formula of 1H-Azepine, hexahydro-1-((1,4,6,7-tetrahydro-1-methyl-2,4-dioxothiazolo(2,3-f)purin-3(2H)-yl)acetyl)-?
The molecular formula of 1H-Azepine, hexahydro-1-((1,4,6,7-tetrahydro-1-methyl-2,4-dioxothiazolo(2,3-f)purin-3(2H)-yl)acetyl)- is C16H21N5O3S.
What is the molecular weight of 1H-Azepine, hexahydro-1-((1,4,6,7-tetrahydro-1-methyl-2,4-dioxothiazolo(2,3-f)purin-3(2H)-yl)acetyl)-?
The molecular weight of 1H-Azepine, hexahydro-1-((1,4,6,7-tetrahydro-1-methyl-2,4-dioxothiazolo(2,3-f)purin-3(2H)-yl)acetyl)- is 363.14 g/mol.
Where can I buy 1H-Azepine, hexahydro-1-((1,4,6,7-tetrahydro-1-methyl-2,4-dioxothiazolo(2,3-f)purin-3(2H)-yl)acetyl)-?
You can request a quote for 1H-Azepine, hexahydro-1-((1,4,6,7-tetrahydro-1-methyl-2,4-dioxothiazolo(2,3-f)purin-3(2H)-yl)acetyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Azepine, hexahydro-1-((1,4,6,7-tetrahydro-1-methyl-2,4-dioxothiazolo(2,3-f)purin-3(2H)-yl)acetyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Azepine, hexahydro-1-((1,4,6,7-tetrahydro-1-methyl-2,4-dioxothiazolo(2,3-f)purin-3(2H)-yl)acetyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.