![N~2~-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}-N-(4-methoxyphenyl)-N~2~-(2-methylbenzyl)valinamide structure](/static/products/1038/1038753-19-3.webp)
N~2~-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}-N-(4-methoxyphenyl)-N~2~-(2-methylbenzyl)valinamide
TL;DR: N~2~-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}-N-(4-methoxyphenyl)-N~2~-(2-methylbenzyl)valinamide (CAS 1038753-19-3) is a chemical compound with molecular formula C28H34N4O3S and molecular weight 506.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(2-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-3-methylbutanamide
Also Known As: N~2~-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}-N-(4-methoxyphenyl)-N~2~-(2-methylbenzyl)valinamide, 2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(2-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-3-methylbutanamide, 2-[[2-[(4,6-Dimethyl-2-pyrimidinyl)thio]acetyl][(2-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-3-methylbutanamide
| Molecular Formula | C28H34N4O3S |
|---|---|
| Molecular Weight | 506.24 g/mol |
| LogP | 5.19466 |
| Topological Polar Surface Area | 84.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 506.23517 |
| Heavy Atoms | 36 |
| Complexity | 1177.404 |
Chemical Identifiers
| CAS Number | 1038753-19-3 |
|---|---|
| SMILES | CC1=CC=CC=C1CN(C(C(C)C)C(=O)NC2=CC=C(C=C2)OC)C(=O)CSC3=NC(=CC(=N3)C)C |
Product Overview
N~2~-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}-N-(4-methoxyphenyl)-N~2~-(2-methylbenzyl)valinamide (CAS 1038753-19-3), with molecular formula C28H34N4O3S and molecular weight 506.24 g/mol. IUPAC: 2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(2-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-3-methylbutanamide.
Chemical Property Profile of N~2~-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}-N-(4-methoxyphenyl)-N~2~-(2-methylbenzyl)valinamide
Property Insights of N~2~-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}-N-(4-methoxyphenyl)-N~2~-(2-methylbenzyl)valinamide
The XLogP value of 5.19466 indicates that N~2~-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}-N-(4-methoxyphenyl)-N~2~-(2-methylbenzyl)valinamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.42 Ų falls within the moderate polarity range, balancing permeability and solubility for N~2~-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}-N-(4-methoxyphenyl)-N~2~-(2-methylbenzyl)valinamide. Following Lipinski's Rule of Five, N~2~-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}-N-(4-methoxyphenyl)-N~2~-(2-methylbenzyl)valinamide has 1 hydrogen bond donor(s) and 6 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~-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}-N-(4-methoxyphenyl)-N~2~-(2-methylbenzyl)valinamide?
The CAS number of N~2~-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}-N-(4-methoxyphenyl)-N~2~-(2-methylbenzyl)valinamide is 1038753-19-3.
What is the molecular formula of N~2~-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}-N-(4-methoxyphenyl)-N~2~-(2-methylbenzyl)valinamide?
The molecular formula of N~2~-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}-N-(4-methoxyphenyl)-N~2~-(2-methylbenzyl)valinamide is C28H34N4O3S.
What is the molecular weight of N~2~-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}-N-(4-methoxyphenyl)-N~2~-(2-methylbenzyl)valinamide?
The molecular weight of N~2~-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}-N-(4-methoxyphenyl)-N~2~-(2-methylbenzyl)valinamide is 506.24 g/mol.
Where can I buy N~2~-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}-N-(4-methoxyphenyl)-N~2~-(2-methylbenzyl)valinamide?
You can request a quote for N~2~-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}-N-(4-methoxyphenyl)-N~2~-(2-methylbenzyl)valinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~2~-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}-N-(4-methoxyphenyl)-N~2~-(2-methylbenzyl)valinamide?
Yes, KEHONG BIO provides custom synthesis services for N~2~-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}-N-(4-methoxyphenyl)-N~2~-(2-methylbenzyl)valinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.