![(3E)-4-imino-3-(thiophen-2-ylmethylidene)pyrimido[2,1-b][1,3]benzothiazol-2-one structure](/static/products/900/900281-47-2.png)
(3E)-4-imino-3-(thiophen-2-ylmethylidene)pyrimido[2,1-b][1,3]benzothiazol-2-one
TL;DR: (3E)-4-imino-3-(thiophen-2-ylmethylidene)pyrimido[2,1-b][1,3]benzothiazol-2-one (CAS 900281-47-2) is a chemical compound with molecular formula C15H9N3OS2 and molecular weight 311.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-4-imino-3-(thiophen-2-ylmethylidene)pyrimido[2,1-b][1,3]benzothiazol-2-one
Also Known As: (3E)-4-imino-3-(thiophen-2-ylmethylidene)pyrimido[2,1-b][1,3]benzothiazol-2-one, (3E)-4-imino-3-(thiophen-2-ylmethylidene)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one, (E)-4-imino-3-(thiophen-2-ylmethylene)-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one
| Molecular Formula | C15H9N3OS2 |
|---|---|
| Molecular Weight | 311.02 g/mol |
| LogP | 3.61727 |
| Topological Polar Surface Area | 56.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 311.0187 |
| Heavy Atoms | 21 |
| Complexity | 821.2041 |
Chemical Identifiers
| CAS Number | 900281-47-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N3C(=N)/C(=C\C4=CC=CS4)/C(=O)N=C3S2 |
Product Overview
(3E)-4-imino-3-(thiophen-2-ylmethylidene)pyrimido[2,1-b][1,3]benzothiazol-2-one (CAS 900281-47-2), with molecular formula C15H9N3OS2 and molecular weight 311.02 g/mol. IUPAC: (3E)-4-imino-3-(thiophen-2-ylmethylidene)pyrimido[2,1-b][1,3]benzothiazol-2-one.
Chemical Property Profile of (3E)-4-imino-3-(thiophen-2-ylmethylidene)pyrimido[2,1-b][1,3]benzothiazol-2-one
Property Insights of (3E)-4-imino-3-(thiophen-2-ylmethylidene)pyrimido[2,1-b][1,3]benzothiazol-2-one
The XLogP value of 3.61727 indicates that (3E)-4-imino-3-(thiophen-2-ylmethylidene)pyrimido[2,1-b][1,3]benzothiazol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.52 Ų, (3E)-4-imino-3-(thiophen-2-ylmethylidene)pyrimido[2,1-b][1,3]benzothiazol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3E)-4-imino-3-(thiophen-2-ylmethylidene)pyrimido[2,1-b][1,3]benzothiazol-2-one has 1 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 (3E)-4-imino-3-(thiophen-2-ylmethylidene)pyrimido[2,1-b][1,3]benzothiazol-2-one?
The CAS number of (3E)-4-imino-3-(thiophen-2-ylmethylidene)pyrimido[2,1-b][1,3]benzothiazol-2-one is 900281-47-2.
What is the molecular formula of (3E)-4-imino-3-(thiophen-2-ylmethylidene)pyrimido[2,1-b][1,3]benzothiazol-2-one?
The molecular formula of (3E)-4-imino-3-(thiophen-2-ylmethylidene)pyrimido[2,1-b][1,3]benzothiazol-2-one is C15H9N3OS2.
What is the molecular weight of (3E)-4-imino-3-(thiophen-2-ylmethylidene)pyrimido[2,1-b][1,3]benzothiazol-2-one?
The molecular weight of (3E)-4-imino-3-(thiophen-2-ylmethylidene)pyrimido[2,1-b][1,3]benzothiazol-2-one is 311.02 g/mol.
Where can I buy (3E)-4-imino-3-(thiophen-2-ylmethylidene)pyrimido[2,1-b][1,3]benzothiazol-2-one?
You can request a quote for (3E)-4-imino-3-(thiophen-2-ylmethylidene)pyrimido[2,1-b][1,3]benzothiazol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3E)-4-imino-3-(thiophen-2-ylmethylidene)pyrimido[2,1-b][1,3]benzothiazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3E)-4-imino-3-(thiophen-2-ylmethylidene)pyrimido[2,1-b][1,3]benzothiazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.