![(3E)-3-(furan-2-ylmethylidene)-4-imino-7,8-dimethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one structure](/static/products/896/896845-75-3.png)
(3E)-3-(furan-2-ylmethylidene)-4-imino-7,8-dimethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one
TL;DR: (3E)-3-(furan-2-ylmethylidene)-4-imino-7,8-dimethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one (CAS 896845-75-3) is a chemical compound with molecular formula C17H13N3O2S and molecular weight 323.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-3-(furan-2-ylmethylidene)-4-imino-7,8-dimethylpyrimido[2,1-b][1,3]benzothiazol-2-one
Also Known As: (3E)-3-(furan-2-ylmethylidene)-4-imino-7,8-dimethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one, (3E)-3-(furan-2-ylmethylidene)-4-imino-7,8-dimethylpyrimido[2,1-b][1,3]benzothiazol-2-one, (E)-3-(furan-2-ylmethylene)-4-imino-7,8-dimethyl-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one
| Molecular Formula | C17H13N3O2S |
|---|---|
| Molecular Weight | 323.07 g/mol |
| LogP | 3.76561 |
| Topological Polar Surface Area | 69.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 323.07285 |
| Heavy Atoms | 23 |
| Complexity | 910.16974 |
Chemical Identifiers
| CAS Number | 896845-75-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)SC3=NC(=O)/C(=C/C4=CC=CO4)/C(=N)N23 |
Product Overview
(3E)-3-(furan-2-ylmethylidene)-4-imino-7,8-dimethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one (CAS 896845-75-3), with molecular formula C17H13N3O2S and molecular weight 323.07 g/mol. IUPAC: (3E)-3-(furan-2-ylmethylidene)-4-imino-7,8-dimethylpyrimido[2,1-b][1,3]benzothiazol-2-one.
Chemical Property Profile of (3E)-3-(furan-2-ylmethylidene)-4-imino-7,8-dimethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one
Property Insights of (3E)-3-(furan-2-ylmethylidene)-4-imino-7,8-dimethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one
The XLogP value of 3.76561 indicates that (3E)-3-(furan-2-ylmethylidene)-4-imino-7,8-dimethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.66 Ų falls within the moderate polarity range, balancing permeability and solubility for (3E)-3-(furan-2-ylmethylidene)-4-imino-7,8-dimethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one. Following Lipinski's Rule of Five, (3E)-3-(furan-2-ylmethylidene)-4-imino-7,8-dimethyl-3,4-dihydro-2H-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)-3-(furan-2-ylmethylidene)-4-imino-7,8-dimethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one?
The CAS number of (3E)-3-(furan-2-ylmethylidene)-4-imino-7,8-dimethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one is 896845-75-3.
What is the molecular formula of (3E)-3-(furan-2-ylmethylidene)-4-imino-7,8-dimethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one?
The molecular formula of (3E)-3-(furan-2-ylmethylidene)-4-imino-7,8-dimethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one is C17H13N3O2S.
What is the molecular weight of (3E)-3-(furan-2-ylmethylidene)-4-imino-7,8-dimethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one?
The molecular weight of (3E)-3-(furan-2-ylmethylidene)-4-imino-7,8-dimethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one is 323.07 g/mol.
Where can I buy (3E)-3-(furan-2-ylmethylidene)-4-imino-7,8-dimethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one?
You can request a quote for (3E)-3-(furan-2-ylmethylidene)-4-imino-7,8-dimethyl-3,4-dihydro-2H-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)-3-(furan-2-ylmethylidene)-4-imino-7,8-dimethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3E)-3-(furan-2-ylmethylidene)-4-imino-7,8-dimethyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.