![3-(2-amino-4-pyrimidinyl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one structure](/static/products/4000/400085-79-2.webp)
3-(2-amino-4-pyrimidinyl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
TL;DR: 3-(2-amino-4-pyrimidinyl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one (CAS 400085-79-2) is a chemical compound with molecular formula C14H9N5OS and molecular weight 295.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-aminopyrimidin-4-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one
Also Known As: 3-(2-amino-4-pyrimidinyl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one, 7B-036, 3-(2-aminopyrimidin-4-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one, 12-(2-aminopyrimidin-4-yl)-8-thia-1,10-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,9,11-pentaen-13-one
| Molecular Formula | C14H9N5OS |
|---|---|
| Molecular Weight | 295.05 g/mol |
| LogP | 1.9484 |
| Topological Polar Surface Area | 86.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 295.0528 |
| Heavy Atoms | 21 |
| Complexity | 1036.3319 |
Chemical Identifiers
| CAS Number | 400085-79-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N3C(=O)C(=CN=C3S2)C4=NC(=NC=C4)N |
Product Overview
3-(2-amino-4-pyrimidinyl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one (CAS 400085-79-2), with molecular formula C14H9N5OS and molecular weight 295.05 g/mol. IUPAC: 3-(2-aminopyrimidin-4-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one.
Chemical Property Profile of 3-(2-amino-4-pyrimidinyl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Property Insights of 3-(2-amino-4-pyrimidinyl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
The XLogP value of 1.9484 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-amino-4-pyrimidinyl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one. The TPSA of 86.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-amino-4-pyrimidinyl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one. Following Lipinski's Rule of Five, 3-(2-amino-4-pyrimidinyl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one has 1 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 3-(2-amino-4-pyrimidinyl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one?
The CAS number of 3-(2-amino-4-pyrimidinyl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one is 400085-79-2.
What is the molecular formula of 3-(2-amino-4-pyrimidinyl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one?
The molecular formula of 3-(2-amino-4-pyrimidinyl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one is C14H9N5OS.
What is the molecular weight of 3-(2-amino-4-pyrimidinyl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one?
The molecular weight of 3-(2-amino-4-pyrimidinyl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one is 295.05 g/mol.
Where can I buy 3-(2-amino-4-pyrimidinyl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one?
You can request a quote for 3-(2-amino-4-pyrimidinyl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-amino-4-pyrimidinyl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-amino-4-pyrimidinyl)-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.