6H-(1,3)Thiazino(2,3-f)purine-3(2H)-acetic acid, 1,4,7,8-tetrahydro-2,4-dioxo-1-methyl-, butyl ester
TL;DR: 6H-(1,3)Thiazino(2,3-f)purine-3(2H)-acetic acid, 1,4,7,8-tetrahydro-2,4-dioxo-1-methyl-, butyl ester (CAS 178452-78-3) is a chemical compound with molecular formula C15H20N4O4S and molecular weight 352.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-(1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[8,7-b][1,3]thiazin-3-yl)acetate
Also Known As: 6H-(1,3)Thiazino(2,3-f)purine-3(2H)-acetic acid, 1,4,7,8-tetrahydro-2,4-dioxo-1-methyl-, butyl ester, butyl 2-(1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[8,7-b][1,3]thiazin-3-yl)acetate, Butyl (1-methyl-2,4-dioxo-1,4,7,8-tetrahydro-6H-[1,3]thiazino[2,3-f]purin-3(2H)-yl)acetate, RefChem:309490
| Molecular Formula | C15H20N4O4S |
|---|---|
| Molecular Weight | 352.12 g/mol |
| LogP | 0.7358 |
| Topological Polar Surface Area | 88.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.1205 |
| Heavy Atoms | 24 |
| Complexity | 895.4818 |
Chemical Identifiers
| CAS Number | 178452-78-3 |
|---|---|
| SMILES | CCCCOC(=O)CN1C(=O)C2=C(N=C3N2CCCS3)N(C1=O)C |
Product Overview
6H-(1,3)Thiazino(2,3-f)purine-3(2H)-acetic acid, 1,4,7,8-tetrahydro-2,4-dioxo-1-methyl-, butyl ester (CAS 178452-78-3), with molecular formula C15H20N4O4S and molecular weight 352.12 g/mol. IUPAC: butyl 2-(1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[8,7-b][1,3]thiazin-3-yl)acetate.
Chemical Property Profile of 6H-(1,3)Thiazino(2,3-f)purine-3(2H)-acetic acid, 1,4,7,8-tetrahydro-2,4-dioxo-1-methyl-, butyl ester
Property Insights of 6H-(1,3)Thiazino(2,3-f)purine-3(2H)-acetic acid, 1,4,7,8-tetrahydro-2,4-dioxo-1-methyl-, butyl ester
The XLogP value of 0.7358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6H-(1,3)Thiazino(2,3-f)purine-3(2H)-acetic acid, 1,4,7,8-tetrahydro-2,4-dioxo-1-methyl-, butyl ester. The TPSA of 88.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 6H-(1,3)Thiazino(2,3-f)purine-3(2H)-acetic acid, 1,4,7,8-tetrahydro-2,4-dioxo-1-methyl-, butyl ester. Following Lipinski's Rule of Five, 6H-(1,3)Thiazino(2,3-f)purine-3(2H)-acetic acid, 1,4,7,8-tetrahydro-2,4-dioxo-1-methyl-, butyl ester has 0 hydrogen bond donor(s) and 6 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 6H-(1,3)Thiazino(2,3-f)purine-3(2H)-acetic acid, 1,4,7,8-tetrahydro-2,4-dioxo-1-methyl-, butyl ester?
The CAS number of 6H-(1,3)Thiazino(2,3-f)purine-3(2H)-acetic acid, 1,4,7,8-tetrahydro-2,4-dioxo-1-methyl-, butyl ester is 178452-78-3.
What is the molecular formula of 6H-(1,3)Thiazino(2,3-f)purine-3(2H)-acetic acid, 1,4,7,8-tetrahydro-2,4-dioxo-1-methyl-, butyl ester?
The molecular formula of 6H-(1,3)Thiazino(2,3-f)purine-3(2H)-acetic acid, 1,4,7,8-tetrahydro-2,4-dioxo-1-methyl-, butyl ester is C15H20N4O4S.
What is the molecular weight of 6H-(1,3)Thiazino(2,3-f)purine-3(2H)-acetic acid, 1,4,7,8-tetrahydro-2,4-dioxo-1-methyl-, butyl ester?
The molecular weight of 6H-(1,3)Thiazino(2,3-f)purine-3(2H)-acetic acid, 1,4,7,8-tetrahydro-2,4-dioxo-1-methyl-, butyl ester is 352.12 g/mol.
Where can I buy 6H-(1,3)Thiazino(2,3-f)purine-3(2H)-acetic acid, 1,4,7,8-tetrahydro-2,4-dioxo-1-methyl-, butyl ester?
You can request a quote for 6H-(1,3)Thiazino(2,3-f)purine-3(2H)-acetic acid, 1,4,7,8-tetrahydro-2,4-dioxo-1-methyl-, butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6H-(1,3)Thiazino(2,3-f)purine-3(2H)-acetic acid, 1,4,7,8-tetrahydro-2,4-dioxo-1-methyl-, butyl ester?
Yes, KEHONG BIO provides custom synthesis services for 6H-(1,3)Thiazino(2,3-f)purine-3(2H)-acetic acid, 1,4,7,8-tetrahydro-2,4-dioxo-1-methyl-, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.