![4-Iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile structure](/static/products/2178/21787-04-2.webp)
4-Iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile
TL;DR: 4-Iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile (CAS 21787-04-2) is a chemical compound with molecular formula C11H6N4S and molecular weight 226.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile
Also Known As: ChemDiv1_024482, BAS 00853924, 4-iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile, AB00079702-01, 4-imino-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile
| Molecular Formula | C11H6N4S |
|---|---|
| Molecular Weight | 226.03 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 88.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 226.03131 |
| Heavy Atoms | 16 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 21787-04-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N3C(=N)C(=CN=C3S2)C#N |
| InChIKey | YRIBTSMAKJWVNU-UHFFFAOYSA-N |
Product Overview
4-Iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile (CAS 21787-04-2), with molecular formula C11H6N4S and molecular weight 226.03 g/mol. IUPAC: 4-iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile.
Chemical Property Profile of 4-Iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile
Property Insights of 4-Iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile. Following Lipinski's Rule of Five, 4-Iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile 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 4-Iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile?
The CAS number of 4-Iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile is 21787-04-2.
What is the molecular formula of 4-Iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile?
The molecular formula of 4-Iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile is C11H6N4S.
What is the molecular weight of 4-Iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile?
The molecular weight of 4-Iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile is 226.03 g/mol.
Where can I buy 4-Iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile?
You can request a quote for 4-Iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.