2-(Benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-ethoxyphenyl)guanidine
TL;DR: 2-(Benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-ethoxyphenyl)guanidine (CAS 389083-10-7) is a chemical compound with molecular formula C21H23N5O3S and molecular weight 425.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-ethoxyphenyl)guanidine
Also Known As: 2-(benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-ethoxyphenyl)guanidine, N-[[(4,6-dimethyl-2-pyrimidinyl)amino](4-ethoxyanilino)methylene]benzenesulfonamide
| Molecular Formula | C21H23N5O3S |
|---|---|
| Molecular Weight | 425.15 g/mol |
| LogP | 3.76104 |
| Topological Polar Surface Area | 105.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.15216 |
| Heavy Atoms | 30 |
| Complexity | 1110.8132 |
Chemical Identifiers
| CAS Number | 389083-10-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=NS(=O)(=O)C2=CC=CC=C2)NC3=NC(=CC(=N3)C)C |
Product Overview
2-(Benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-ethoxyphenyl)guanidine (CAS 389083-10-7), with molecular formula C21H23N5O3S and molecular weight 425.15 g/mol. IUPAC: 2-(benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-ethoxyphenyl)guanidine.
Chemical Property Profile of 2-(Benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-ethoxyphenyl)guanidine
Property Insights of 2-(Benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-ethoxyphenyl)guanidine
The XLogP value of 3.76104 indicates that 2-(Benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-ethoxyphenyl)guanidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-ethoxyphenyl)guanidine. Following Lipinski's Rule of Five, 2-(Benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-ethoxyphenyl)guanidine has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(Benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-ethoxyphenyl)guanidine?
The CAS number of 2-(Benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-ethoxyphenyl)guanidine is 389083-10-7.
What is the molecular formula of 2-(Benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-ethoxyphenyl)guanidine?
The molecular formula of 2-(Benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-ethoxyphenyl)guanidine is C21H23N5O3S.
What is the molecular weight of 2-(Benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-ethoxyphenyl)guanidine?
The molecular weight of 2-(Benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-ethoxyphenyl)guanidine is 425.15 g/mol.
Where can I buy 2-(Benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-ethoxyphenyl)guanidine?
You can request a quote for 2-(Benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-ethoxyphenyl)guanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-ethoxyphenyl)guanidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-ethoxyphenyl)guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.