![N,2-bis(1,3-benzodioxol-5-yl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(4-methylphenyl)methyl]amino]acetamide structure](/static/products/1040/1040848-07-4.webp)
N,2-bis(1,3-benzodioxol-5-yl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(4-methylphenyl)methyl]amino]acetamide
TL;DR: N,2-bis(1,3-benzodioxol-5-yl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(4-methylphenyl)methyl]amino]acetamide (CAS 1040848-07-4) is a chemical compound with molecular formula C32H30N4O6S and molecular weight 598.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,2-bis(1,3-benzodioxol-5-yl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(4-methylphenyl)methyl]amino]acetamide
Also Known As: N,2-bis(1,3-benzodioxol-5-yl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(4-methylphenyl)methyl]amino]acetamide, N-[1-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(4-methylbenzyl)acetamide, N-1,3-Benzodioxol-5-yl-alpha-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetyl][(4-methylphenyl)methyl]amino]-1,3-benzodioxole-5-acetamide, N-1,3-Benzodioxol-5-yl-I+/--[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetyl][(4-methylphenyl)methyl]amino]-1,3-benzodioxole-5-acetamide
| Molecular Formula | C32H30N4O6S |
|---|---|
| Molecular Weight | 598.19 g/mol |
| LogP | 5.36016 |
| Topological Polar Surface Area | 112.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 598.1886 |
| Heavy Atoms | 43 |
| Complexity | 1659.216 |
Chemical Identifiers
| CAS Number | 1040848-07-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN(C(C2=CC3=C(C=C2)OCO3)C(=O)NC4=CC5=C(C=C4)OCO5)C(=O)CSC6=NC(=CC(=N6)C)C |
Product Overview
N,2-bis(1,3-benzodioxol-5-yl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(4-methylphenyl)methyl]amino]acetamide (CAS 1040848-07-4), with molecular formula C32H30N4O6S and molecular weight 598.19 g/mol. IUPAC: N,2-bis(1,3-benzodioxol-5-yl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(4-methylphenyl)methyl]amino]acetamide.
Chemical Property Profile of N,2-bis(1,3-benzodioxol-5-yl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(4-methylphenyl)methyl]amino]acetamide
Property Insights of N,2-bis(1,3-benzodioxol-5-yl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(4-methylphenyl)methyl]amino]acetamide
The XLogP value of 5.36016 indicates that N,2-bis(1,3-benzodioxol-5-yl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(4-methylphenyl)methyl]amino]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.11 Ų falls within the moderate polarity range, balancing permeability and solubility for N,2-bis(1,3-benzodioxol-5-yl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(4-methylphenyl)methyl]amino]acetamide. Following Lipinski's Rule of Five, N,2-bis(1,3-benzodioxol-5-yl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(4-methylphenyl)methyl]amino]acetamide has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,2-bis(1,3-benzodioxol-5-yl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(4-methylphenyl)methyl]amino]acetamide?
The CAS number of N,2-bis(1,3-benzodioxol-5-yl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(4-methylphenyl)methyl]amino]acetamide is 1040848-07-4.
What is the molecular formula of N,2-bis(1,3-benzodioxol-5-yl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(4-methylphenyl)methyl]amino]acetamide?
The molecular formula of N,2-bis(1,3-benzodioxol-5-yl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(4-methylphenyl)methyl]amino]acetamide is C32H30N4O6S.
What is the molecular weight of N,2-bis(1,3-benzodioxol-5-yl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(4-methylphenyl)methyl]amino]acetamide?
The molecular weight of N,2-bis(1,3-benzodioxol-5-yl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(4-methylphenyl)methyl]amino]acetamide is 598.19 g/mol.
Where can I buy N,2-bis(1,3-benzodioxol-5-yl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(4-methylphenyl)methyl]amino]acetamide?
You can request a quote for N,2-bis(1,3-benzodioxol-5-yl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(4-methylphenyl)methyl]amino]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,2-bis(1,3-benzodioxol-5-yl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(4-methylphenyl)methyl]amino]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N,2-bis(1,3-benzodioxol-5-yl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(4-methylphenyl)methyl]amino]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.