(E)-isopropyl 2-(4-(2-((4-chlorophenyl)sulfonyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidino)phenyl)acetate
TL;DR: (E)-isopropyl 2-(4-(2-((4-chlorophenyl)sulfonyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidino)phenyl)acetate (CAS 443321-89-9) is a chemical compound with molecular formula C24H26ClN5O4S and molecular weight 515.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[4-[[(E)-N'-(4-chlorophenyl)sulfonyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]amino]phenyl]acetate
Also Known As: (E)-isopropyl 2-(4-(2-((4-chlorophenyl)sulfonyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidino)phenyl)acetate, methylethyl 2-[4-({(1E)-1-[(4,6-dimethylpyrimidin-2-yl)amino]-2-[(4-chlorophen yl)sulfonyl]-2-azavinyl}amino)phenyl]acetate, propan-2-yl 2-[4-[[(E)-N'-(4-chlorophenyl)sulfonyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]amino]phenyl]acetate, PROPAN-2-YL 2-{4-[(E)-N''-(4-CHLOROBENZENESULFONYL)-N'-(4,6-DIMETHYLPYRIMIDIN-2-YL)CARBAMIMIDAMIDO]PHENYL}ACETATE
| Molecular Formula | C24H26ClN5O4S |
|---|---|
| Molecular Weight | 515.14 g/mol |
| LogP | 4.50984 |
| Topological Polar Surface Area | 122.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 515.1394 |
| Heavy Atoms | 35 |
| Complexity | 1304.7754 |
Chemical Identifiers
| CAS Number | 443321-89-9 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)N/C(=N/S(=O)(=O)C2=CC=C(C=C2)Cl)/NC3=CC=C(C=C3)CC(=O)OC(C)C)C |
Product Overview
(E)-isopropyl 2-(4-(2-((4-chlorophenyl)sulfonyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidino)phenyl)acetate (CAS 443321-89-9), with molecular formula C24H26ClN5O4S and molecular weight 515.14 g/mol. IUPAC: propan-2-yl 2-[4-[[(E)-N'-(4-chlorophenyl)sulfonyl-N-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]amino]phenyl]acetate.
Chemical Property Profile of (E)-isopropyl 2-(4-(2-((4-chlorophenyl)sulfonyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidino)phenyl)acetate
Property Insights of (E)-isopropyl 2-(4-(2-((4-chlorophenyl)sulfonyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidino)phenyl)acetate
The XLogP value of 4.50984 indicates that (E)-isopropyl 2-(4-(2-((4-chlorophenyl)sulfonyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidino)phenyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.64 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-isopropyl 2-(4-(2-((4-chlorophenyl)sulfonyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidino)phenyl)acetate. Following Lipinski's Rule of Five, (E)-isopropyl 2-(4-(2-((4-chlorophenyl)sulfonyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidino)phenyl)acetate 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 (E)-isopropyl 2-(4-(2-((4-chlorophenyl)sulfonyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidino)phenyl)acetate?
The CAS number of (E)-isopropyl 2-(4-(2-((4-chlorophenyl)sulfonyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidino)phenyl)acetate is 443321-89-9.
What is the molecular formula of (E)-isopropyl 2-(4-(2-((4-chlorophenyl)sulfonyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidino)phenyl)acetate?
The molecular formula of (E)-isopropyl 2-(4-(2-((4-chlorophenyl)sulfonyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidino)phenyl)acetate is C24H26ClN5O4S.
What is the molecular weight of (E)-isopropyl 2-(4-(2-((4-chlorophenyl)sulfonyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidino)phenyl)acetate?
The molecular weight of (E)-isopropyl 2-(4-(2-((4-chlorophenyl)sulfonyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidino)phenyl)acetate is 515.14 g/mol.
Where can I buy (E)-isopropyl 2-(4-(2-((4-chlorophenyl)sulfonyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidino)phenyl)acetate?
You can request a quote for (E)-isopropyl 2-(4-(2-((4-chlorophenyl)sulfonyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidino)phenyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-isopropyl 2-(4-(2-((4-chlorophenyl)sulfonyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidino)phenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-isopropyl 2-(4-(2-((4-chlorophenyl)sulfonyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidino)phenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.