Ethyl 2-(2,2-diphenylacetyl)imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate
TL;DR: Ethyl 2-(2,2-diphenylacetyl)imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate (CAS 865174-75-0) is a chemical compound with molecular formula C27H24N2O3S and molecular weight 456.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2,2-diphenylacetyl)imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate
Also Known As: F1365-0211, ethyl (2Z)-2-[(2,2-diphenylacetyl)imino]-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazole-6-carboxylate, (Z)-ethyl 3-allyl-2-((2,2-diphenylacetyl)imino)-2,3-dihydrobenzo[d]thiazole-6-carboxylate, ethyl 2-(2,2-diphenylacetyl)imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate, Ethyl 2-(2,2-diphenylacetyl)imino-3-prop-2-enyl-benzothiazole-6-carboxylate
| Molecular Formula | C27H24N2O3S |
|---|---|
| Molecular Weight | 456.15 g/mol |
| LogP | 5.3249 |
| Topological Polar Surface Area | 60.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 456.15076 |
| Heavy Atoms | 33 |
| Complexity | 1315.1577 |
Chemical Identifiers
| CAS Number | 865174-75-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)S2)CC=C |
Product Overview
Ethyl 2-(2,2-diphenylacetyl)imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate (CAS 865174-75-0), with molecular formula C27H24N2O3S and molecular weight 456.15 g/mol. IUPAC: ethyl 2-(2,2-diphenylacetyl)imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate.
Chemical Property Profile of Ethyl 2-(2,2-diphenylacetyl)imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate
Property Insights of Ethyl 2-(2,2-diphenylacetyl)imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate
The XLogP value of 5.3249 indicates that Ethyl 2-(2,2-diphenylacetyl)imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(2,2-diphenylacetyl)imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-(2,2-diphenylacetyl)imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-(2,2-diphenylacetyl)imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate?
The CAS number of Ethyl 2-(2,2-diphenylacetyl)imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate is 865174-75-0.
What is the molecular formula of Ethyl 2-(2,2-diphenylacetyl)imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate?
The molecular formula of Ethyl 2-(2,2-diphenylacetyl)imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate is C27H24N2O3S.
What is the molecular weight of Ethyl 2-(2,2-diphenylacetyl)imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate?
The molecular weight of Ethyl 2-(2,2-diphenylacetyl)imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate is 456.15 g/mol.
Where can I buy Ethyl 2-(2,2-diphenylacetyl)imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate?
You can request a quote for Ethyl 2-(2,2-diphenylacetyl)imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(2,2-diphenylacetyl)imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2,2-diphenylacetyl)imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.