(2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-morpholin-4-yl-3-oxopropanenitrile
TL;DR: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-morpholin-4-yl-3-oxopropanenitrile (CAS 638142-52-6) is a chemical compound with molecular formula C14H13N3O2S and molecular weight 287.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-morpholin-4-yl-3-oxopropanenitrile
Also Known As: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-morpholin-4-yl-3-oxopropanenitrile, F1589-0001, (E)-2-(benzo[d]thiazol-2(3H)-ylidene)-3-morpholino-3-oxopropanenitrile, 2-(3-hydrobenzothiazol-2-ylidene)-3-morpholin-4-yl-3-oxopropanenitrile, (2E)-2-(1,3-benzothiazol-2(3H)-ylidene)-3-(morpholin-4-yl)-3-oxopropanenitrile
| Molecular Formula | C14H13N3O2S |
|---|---|
| Molecular Weight | 287.07 g/mol |
| LogP | 1.79818 |
| Topological Polar Surface Area | 65.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 287.07285 |
| Heavy Atoms | 20 |
| Complexity | 588.0902 |
Chemical Identifiers
| CAS Number | 638142-52-6 |
|---|---|
| SMILES | C1COCCN1C(=O)/C(=C/2\NC3=CC=CC=C3S2)/C#N |
Product Overview
(2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-morpholin-4-yl-3-oxopropanenitrile (CAS 638142-52-6), with molecular formula C14H13N3O2S and molecular weight 287.07 g/mol. IUPAC: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-morpholin-4-yl-3-oxopropanenitrile.
Chemical Property Profile of (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-morpholin-4-yl-3-oxopropanenitrile
Property Insights of (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-morpholin-4-yl-3-oxopropanenitrile
The XLogP value of 1.79818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-morpholin-4-yl-3-oxopropanenitrile. The TPSA of 65.36 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-morpholin-4-yl-3-oxopropanenitrile. Following Lipinski's Rule of Five, (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-morpholin-4-yl-3-oxopropanenitrile 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 (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-morpholin-4-yl-3-oxopropanenitrile?
The CAS number of (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-morpholin-4-yl-3-oxopropanenitrile is 638142-52-6.
What is the molecular formula of (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-morpholin-4-yl-3-oxopropanenitrile?
The molecular formula of (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-morpholin-4-yl-3-oxopropanenitrile is C14H13N3O2S.
What is the molecular weight of (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-morpholin-4-yl-3-oxopropanenitrile?
The molecular weight of (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-morpholin-4-yl-3-oxopropanenitrile is 287.07 g/mol.
Where can I buy (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-morpholin-4-yl-3-oxopropanenitrile?
You can request a quote for (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-morpholin-4-yl-3-oxopropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-morpholin-4-yl-3-oxopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-morpholin-4-yl-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.