5-(1,3-benzothiazol-2-yl)pyrimidine-2,4(1H,3H)-dione
TL;DR: 5-(1,3-benzothiazol-2-yl)pyrimidine-2,4(1H,3H)-dione (CAS 277754-13-9) is a chemical compound with molecular formula C11H7N3O2S and molecular weight 245.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzothiazol-2-yl)-1H-pyrimidine-2,4-dione
Also Known As: 5-(1,3-benzothiazol-2-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione, 5-(1,3-benzothiazol-2-yl)pyrimidine-2,4(1H,3H)-dione, 5-(1,3-benzothiazol-2-yl)-1H-pyrimidine-2,4-dione, AP-185/15474007, 5-(3H-1,3-benzothiazol-2-ylidene)pyrimidine-2,4-dione
| Molecular Formula | C11H7N3O2S |
|---|---|
| Molecular Weight | 245.03 g/mol |
| LogP | 1.3399 |
| Topological Polar Surface Area | 78.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.0259 |
| Heavy Atoms | 17 |
| Complexity | 766.8269 |
Chemical Identifiers
| CAS Number | 277754-13-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=CNC(=O)NC3=O |
Product Overview
5-(1,3-benzothiazol-2-yl)pyrimidine-2,4(1H,3H)-dione (CAS 277754-13-9), with molecular formula C11H7N3O2S and molecular weight 245.03 g/mol. IUPAC: 5-(1,3-benzothiazol-2-yl)-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-(1,3-benzothiazol-2-yl)pyrimidine-2,4(1H,3H)-dione
Property Insights of 5-(1,3-benzothiazol-2-yl)pyrimidine-2,4(1H,3H)-dione
The XLogP value of 1.3399 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1,3-benzothiazol-2-yl)pyrimidine-2,4(1H,3H)-dione. The TPSA of 78.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1,3-benzothiazol-2-yl)pyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 5-(1,3-benzothiazol-2-yl)pyrimidine-2,4(1H,3H)-dione has 2 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 5-(1,3-benzothiazol-2-yl)pyrimidine-2,4(1H,3H)-dione?
The CAS number of 5-(1,3-benzothiazol-2-yl)pyrimidine-2,4(1H,3H)-dione is 277754-13-9.
What is the molecular formula of 5-(1,3-benzothiazol-2-yl)pyrimidine-2,4(1H,3H)-dione?
The molecular formula of 5-(1,3-benzothiazol-2-yl)pyrimidine-2,4(1H,3H)-dione is C11H7N3O2S.
What is the molecular weight of 5-(1,3-benzothiazol-2-yl)pyrimidine-2,4(1H,3H)-dione?
The molecular weight of 5-(1,3-benzothiazol-2-yl)pyrimidine-2,4(1H,3H)-dione is 245.03 g/mol.
Where can I buy 5-(1,3-benzothiazol-2-yl)pyrimidine-2,4(1H,3H)-dione?
You can request a quote for 5-(1,3-benzothiazol-2-yl)pyrimidine-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1,3-benzothiazol-2-yl)pyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,3-benzothiazol-2-yl)pyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.