![(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide structure](/static/products/587/587849-95-4.png)
(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide
TL;DR: (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide (CAS 587849-95-4) is a chemical compound with molecular formula C29H29N3O6S and molecular weight 547.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
Also Known As: (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide, (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-2-((4-ethoxyphenyl)imino)-4-oxo-1,3-thiazinane-6-carboxamide, 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
| Molecular Formula | C29H29N3O6S |
|---|---|
| Molecular Weight | 547.18 g/mol |
| LogP | 5.3732 |
| Topological Polar Surface Area | 98.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 547.17773 |
| Heavy Atoms | 39 |
| Complexity | 1360.4408 |
Chemical Identifiers
| CAS Number | 587849-95-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=C(C=C3)OCC)S2)CC4=CC5=C(C=C4)OCO5 |
Product Overview
(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide (CAS 587849-95-4), with molecular formula C29H29N3O6S and molecular weight 547.18 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide.
Chemical Property Profile of (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide
Property Insights of (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide
The XLogP value of 5.3732 indicates that (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.69 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide. Following Lipinski's Rule of Five, (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide?
The CAS number of (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide is 587849-95-4.
What is the molecular formula of (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide?
The molecular formula of (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide is C29H29N3O6S.
What is the molecular weight of (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide?
The molecular weight of (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide is 547.18 g/mol.
Where can I buy (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide?
You can request a quote for (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)imino]-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 (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.