![3H-Pyrido[2,1-b]benzothiazole-2,4-dicarbonitrile, 1-amino-3-phenyl- structure](/static/products/854/85460-33-9.png)
3H-Pyrido[2,1-b]benzothiazole-2,4-dicarbonitrile, 1-amino-3-phenyl-
TL;DR: 3H-Pyrido[2,1-b]benzothiazole-2,4-dicarbonitrile, 1-amino-3-phenyl- (CAS 85460-33-9) is a chemical compound with molecular formula C19H12N4S and molecular weight 328.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-3-phenyl-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile
Also Known As: 4-(3-aminobenzoylamino)benzoic acid ethyl ester, 3H-Pyrido[2,1-b]benzothiazole-2,4-dicarbonitrile, 1-amino-3-phenyl-, 1-Amino-3-phenyl-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile, 1-amino-3-phenyl-3H-benzo[4,5]thiazolo[3,2-a]pyridine-2,4-dicarbonitrile, 1-Amino-3-phenyl-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile #
| Molecular Formula | C19H12N4S |
|---|---|
| Molecular Weight | 328.08 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 328.07828 |
| Heavy Atoms | 24 |
| Complexity | 697.0 |
Chemical Identifiers
| CAS Number | 85460-33-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C(=C(N3C4=CC=CC=C4SC3=C2C#N)N)C#N |
| InChIKey | WFRGAJSHSLBCNP-UHFFFAOYSA-N |
Product Overview
3H-Pyrido[2,1-b]benzothiazole-2,4-dicarbonitrile, 1-amino-3-phenyl- (CAS 85460-33-9), with molecular formula C19H12N4S and molecular weight 328.08 g/mol. IUPAC: 1-amino-3-phenyl-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile.
Chemical Property Profile of 3H-Pyrido[2,1-b]benzothiazole-2,4-dicarbonitrile, 1-amino-3-phenyl-
Property Insights of 3H-Pyrido[2,1-b]benzothiazole-2,4-dicarbonitrile, 1-amino-3-phenyl-
The XLogP value of 3.7 indicates that 3H-Pyrido[2,1-b]benzothiazole-2,4-dicarbonitrile, 1-amino-3-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-Pyrido[2,1-b]benzothiazole-2,4-dicarbonitrile, 1-amino-3-phenyl-. Following Lipinski's Rule of Five, 3H-Pyrido[2,1-b]benzothiazole-2,4-dicarbonitrile, 1-amino-3-phenyl- has 1 hydrogen bond donor(s) and 5 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 3H-Pyrido[2,1-b]benzothiazole-2,4-dicarbonitrile, 1-amino-3-phenyl-?
The CAS number of 3H-Pyrido[2,1-b]benzothiazole-2,4-dicarbonitrile, 1-amino-3-phenyl- is 85460-33-9.
What is the molecular formula of 3H-Pyrido[2,1-b]benzothiazole-2,4-dicarbonitrile, 1-amino-3-phenyl-?
The molecular formula of 3H-Pyrido[2,1-b]benzothiazole-2,4-dicarbonitrile, 1-amino-3-phenyl- is C19H12N4S.
What is the molecular weight of 3H-Pyrido[2,1-b]benzothiazole-2,4-dicarbonitrile, 1-amino-3-phenyl-?
The molecular weight of 3H-Pyrido[2,1-b]benzothiazole-2,4-dicarbonitrile, 1-amino-3-phenyl- is 328.08 g/mol.
Where can I buy 3H-Pyrido[2,1-b]benzothiazole-2,4-dicarbonitrile, 1-amino-3-phenyl-?
You can request a quote for 3H-Pyrido[2,1-b]benzothiazole-2,4-dicarbonitrile, 1-amino-3-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-Pyrido[2,1-b]benzothiazole-2,4-dicarbonitrile, 1-amino-3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 3H-Pyrido[2,1-b]benzothiazole-2,4-dicarbonitrile, 1-amino-3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.