![3-(3-bromo-4-methoxyphenyl)-N-(4-{[(2,6-dimethyl-4-pyrimidinyl)amino]sulfonyl}phenyl)acrylamide structure](/static/products/873/873307-07-4.png)
3-(3-bromo-4-methoxyphenyl)-N-(4-{[(2,6-dimethyl-4-pyrimidinyl)amino]sulfonyl}phenyl)acrylamide
TL;DR: 3-(3-bromo-4-methoxyphenyl)-N-(4-{[(2,6-dimethyl-4-pyrimidinyl)amino]sulfonyl}phenyl)acrylamide (CAS 873307-07-4) is a chemical compound with molecular formula C22H21BrN4O4S and molecular weight 516.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-bromo-4-methoxyphenyl)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]prop-2-enamide
Also Known As: 3-(3-bromo-4-methoxyphenyl)-N-(4-{[(2,6-dimethyl-4-pyrimidinyl)amino]sulfonyl}phenyl)acrylamide, AF-399/15285146, (E)-3-(3-bromo-4-methoxyphenyl)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]prop-2-enamide, (2E)-3-(3-bromo-4-methoxyphenyl)-N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}prop-2-enamide, (2E)-N-(4-{[(2,6-dimethylpyrimidin-4-yl)amino]sulfonyl}phenyl)-3-(3-bromo-4-me thoxyphenyl)prop-2-enamide
| Molecular Formula | C22H21BrN4O4S |
|---|---|
| Molecular Weight | 516.05 g/mol |
| LogP | 4.31724 |
| Topological Polar Surface Area | 110.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 516.0467 |
| Heavy Atoms | 32 |
| Complexity | 1255.3384 |
Chemical Identifiers
| CAS Number | 873307-07-4 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC(=C(C=C3)OC)Br |
Product Overview
3-(3-bromo-4-methoxyphenyl)-N-(4-{[(2,6-dimethyl-4-pyrimidinyl)amino]sulfonyl}phenyl)acrylamide (CAS 873307-07-4), with molecular formula C22H21BrN4O4S and molecular weight 516.05 g/mol. IUPAC: (E)-3-(3-bromo-4-methoxyphenyl)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]prop-2-enamide.
Chemical Property Profile of 3-(3-bromo-4-methoxyphenyl)-N-(4-{[(2,6-dimethyl-4-pyrimidinyl)amino]sulfonyl}phenyl)acrylamide
Property Insights of 3-(3-bromo-4-methoxyphenyl)-N-(4-{[(2,6-dimethyl-4-pyrimidinyl)amino]sulfonyl}phenyl)acrylamide
The XLogP value of 4.31724 indicates that 3-(3-bromo-4-methoxyphenyl)-N-(4-{[(2,6-dimethyl-4-pyrimidinyl)amino]sulfonyl}phenyl)acrylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-bromo-4-methoxyphenyl)-N-(4-{[(2,6-dimethyl-4-pyrimidinyl)amino]sulfonyl}phenyl)acrylamide. Following Lipinski's Rule of Five, 3-(3-bromo-4-methoxyphenyl)-N-(4-{[(2,6-dimethyl-4-pyrimidinyl)amino]sulfonyl}phenyl)acrylamide has 2 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 3-(3-bromo-4-methoxyphenyl)-N-(4-{[(2,6-dimethyl-4-pyrimidinyl)amino]sulfonyl}phenyl)acrylamide?
The CAS number of 3-(3-bromo-4-methoxyphenyl)-N-(4-{[(2,6-dimethyl-4-pyrimidinyl)amino]sulfonyl}phenyl)acrylamide is 873307-07-4.
What is the molecular formula of 3-(3-bromo-4-methoxyphenyl)-N-(4-{[(2,6-dimethyl-4-pyrimidinyl)amino]sulfonyl}phenyl)acrylamide?
The molecular formula of 3-(3-bromo-4-methoxyphenyl)-N-(4-{[(2,6-dimethyl-4-pyrimidinyl)amino]sulfonyl}phenyl)acrylamide is C22H21BrN4O4S.
What is the molecular weight of 3-(3-bromo-4-methoxyphenyl)-N-(4-{[(2,6-dimethyl-4-pyrimidinyl)amino]sulfonyl}phenyl)acrylamide?
The molecular weight of 3-(3-bromo-4-methoxyphenyl)-N-(4-{[(2,6-dimethyl-4-pyrimidinyl)amino]sulfonyl}phenyl)acrylamide is 516.05 g/mol.
Where can I buy 3-(3-bromo-4-methoxyphenyl)-N-(4-{[(2,6-dimethyl-4-pyrimidinyl)amino]sulfonyl}phenyl)acrylamide?
You can request a quote for 3-(3-bromo-4-methoxyphenyl)-N-(4-{[(2,6-dimethyl-4-pyrimidinyl)amino]sulfonyl}phenyl)acrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-bromo-4-methoxyphenyl)-N-(4-{[(2,6-dimethyl-4-pyrimidinyl)amino]sulfonyl}phenyl)acrylamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-bromo-4-methoxyphenyl)-N-(4-{[(2,6-dimethyl-4-pyrimidinyl)amino]sulfonyl}phenyl)acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.