Spiro(benzothiazole-2(3H),2'(1'H)-pyrimidine)-4',5',6'(3'H)-trione
TL;DR: Spiro(benzothiazole-2(3H),2'(1'H)-pyrimidine)-4',5',6'(3'H)-trione (CAS 67775-07-9) is a chemical compound with molecular formula C10H7N3O3S and molecular weight 249.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
spiro[1,3-diazinane-2,2'-3H-1,3-benzothiazole]-4,5,6-trione
Also Known As: Spiro(benzothiazole-2(3H),2'(1'H)-pyrimidine)-4',5',6'(3'H)-trione, NCI60_003207, spiro[1,3-diazinane-2,2'-3H-1,3-benzothiazole]-4,5,6-trione, 1'h,3h-spiro[1,3-benzothiazole-2,2'-pyrimidine]-4',5',6'(3'h)-trione, N,N-DIETHYL-2-PIPERIDINECARBOXAMIDE MONOHYDROCHLORIDE
| Molecular Formula | C10H7N3O3S |
|---|---|
| Molecular Weight | 249.02 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 249.02081 |
| Heavy Atoms | 17 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 67775-07-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC3(S2)NC(=O)C(=O)C(=O)N3 |
| InChIKey | CGJVHUCSRFVPHE-UHFFFAOYSA-N |
Product Overview
Spiro(benzothiazole-2(3H),2'(1'H)-pyrimidine)-4',5',6'(3'H)-trione (CAS 67775-07-9), with molecular formula C10H7N3O3S and molecular weight 249.02 g/mol. IUPAC: spiro[1,3-diazinane-2,2'-3H-1,3-benzothiazole]-4,5,6-trione.
Chemical Property Profile of Spiro(benzothiazole-2(3H),2'(1'H)-pyrimidine)-4',5',6'(3'H)-trione
Property Insights of Spiro(benzothiazole-2(3H),2'(1'H)-pyrimidine)-4',5',6'(3'H)-trione
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spiro(benzothiazole-2(3H),2'(1'H)-pyrimidine)-4',5',6'(3'H)-trione. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Spiro(benzothiazole-2(3H),2'(1'H)-pyrimidine)-4',5',6'(3'H)-trione. Following Lipinski's Rule of Five, Spiro(benzothiazole-2(3H),2'(1'H)-pyrimidine)-4',5',6'(3'H)-trione has 3 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 Spiro(benzothiazole-2(3H),2'(1'H)-pyrimidine)-4',5',6'(3'H)-trione?
The CAS number of Spiro(benzothiazole-2(3H),2'(1'H)-pyrimidine)-4',5',6'(3'H)-trione is 67775-07-9.
What is the molecular formula of Spiro(benzothiazole-2(3H),2'(1'H)-pyrimidine)-4',5',6'(3'H)-trione?
The molecular formula of Spiro(benzothiazole-2(3H),2'(1'H)-pyrimidine)-4',5',6'(3'H)-trione is C10H7N3O3S.
What is the molecular weight of Spiro(benzothiazole-2(3H),2'(1'H)-pyrimidine)-4',5',6'(3'H)-trione?
The molecular weight of Spiro(benzothiazole-2(3H),2'(1'H)-pyrimidine)-4',5',6'(3'H)-trione is 249.02 g/mol.
Where can I buy Spiro(benzothiazole-2(3H),2'(1'H)-pyrimidine)-4',5',6'(3'H)-trione?
You can request a quote for Spiro(benzothiazole-2(3H),2'(1'H)-pyrimidine)-4',5',6'(3'H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiro(benzothiazole-2(3H),2'(1'H)-pyrimidine)-4',5',6'(3'H)-trione?
Yes, KEHONG BIO provides custom synthesis services for Spiro(benzothiazole-2(3H),2'(1'H)-pyrimidine)-4',5',6'(3'H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.