![(Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((4-ethoxyphenyl)imino)-N-ethyl-4-oxo-1,3-thiazinane-6-carboxamide structure](/static/products/116/1164515-13-2.png)
(Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((4-ethoxyphenyl)imino)-N-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
TL;DR: (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((4-ethoxyphenyl)imino)-N-ethyl-4-oxo-1,3-thiazinane-6-carboxamide (CAS 1164515-13-2) is a chemical compound with molecular formula C23H25N3O5S and molecular weight 455.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethoxyphenyl)imino-N-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
Also Known As: (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((4-ethoxyphenyl)imino)-N-ethyl-4-oxo-1,3-thiazinane-6-carboxamide, 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethoxyphenyl)imino-N-ethyl-4-oxo-1,3-thiazinane-6-carboxamide, N-ethyl-4-keto-3-piperonyl-2-p-phenetylimino-1,3-thiazinane-6-carboxamide, (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-ethoxyphenyl)imino]-N-ethyl-4-oxo-1,3-thiazinane-6-carboxamide, 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethoxyphenyl)imino-N-ethyl-4-oxidanylidene-1,3-thiazinane-6-carboxamide
| Molecular Formula | C23H25N3O5S |
|---|---|
| Molecular Weight | 455.15 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 455.1515 |
| Heavy Atoms | 32 |
| Complexity | 697.0 |
Chemical Identifiers
| CAS Number | 1164515-13-2 |
|---|---|
| SMILES | CCNC(=O)C1CC(=O)N(C(=NC2=CC=C(C=C2)OCC)S1)CC3=CC4=C(C=C3)OCO4 |
| InChIKey | MJZBXLVKKZBHHZ-UHFFFAOYSA-N |
Product Overview
(Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((4-ethoxyphenyl)imino)-N-ethyl-4-oxo-1,3-thiazinane-6-carboxamide (CAS 1164515-13-2), with molecular formula C23H25N3O5S and molecular weight 455.15 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethoxyphenyl)imino-N-ethyl-4-oxo-1,3-thiazinane-6-carboxamide.
Chemical Property Profile of (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((4-ethoxyphenyl)imino)-N-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
Property Insights of (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((4-ethoxyphenyl)imino)-N-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
The XLogP value of 3.4 indicates that (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((4-ethoxyphenyl)imino)-N-ethyl-4-oxo-1,3-thiazinane-6-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((4-ethoxyphenyl)imino)-N-ethyl-4-oxo-1,3-thiazinane-6-carboxamide. Following Lipinski's Rule of Five, (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((4-ethoxyphenyl)imino)-N-ethyl-4-oxo-1,3-thiazinane-6-carboxamide has 1 hydrogen bond donor(s) and 7 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 (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((4-ethoxyphenyl)imino)-N-ethyl-4-oxo-1,3-thiazinane-6-carboxamide?
The CAS number of (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((4-ethoxyphenyl)imino)-N-ethyl-4-oxo-1,3-thiazinane-6-carboxamide is 1164515-13-2.
What is the molecular formula of (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((4-ethoxyphenyl)imino)-N-ethyl-4-oxo-1,3-thiazinane-6-carboxamide?
The molecular formula of (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((4-ethoxyphenyl)imino)-N-ethyl-4-oxo-1,3-thiazinane-6-carboxamide is C23H25N3O5S.
What is the molecular weight of (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((4-ethoxyphenyl)imino)-N-ethyl-4-oxo-1,3-thiazinane-6-carboxamide?
The molecular weight of (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((4-ethoxyphenyl)imino)-N-ethyl-4-oxo-1,3-thiazinane-6-carboxamide is 455.15 g/mol.
Where can I buy (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((4-ethoxyphenyl)imino)-N-ethyl-4-oxo-1,3-thiazinane-6-carboxamide?
You can request a quote for (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((4-ethoxyphenyl)imino)-N-ethyl-4-oxo-1,3-thiazinane-6-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((4-ethoxyphenyl)imino)-N-ethyl-4-oxo-1,3-thiazinane-6-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((4-ethoxyphenyl)imino)-N-ethyl-4-oxo-1,3-thiazinane-6-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.