2-(benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-phenylmethoxyphenyl)guanidine
TL;DR: 2-(benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-phenylmethoxyphenyl)guanidine (CAS 835894-44-5) is a chemical compound with molecular formula C26H25N5O3S and molecular weight 487.17 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-phenylmethoxyphenyl)guanidine
Also Known As: 2-(benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-phenylmethoxyphenyl)guanidine, N-[(Z)-{[4-(benzyloxy)phenyl]amino}{[(2E)-4,6-dimethylpyrimidin-2(1H)-ylidene]amino}methylidene]benzenesulfonamide
| Molecular Formula | C26H25N5O3S |
|---|---|
| Molecular Weight | 487.17 g/mol |
| LogP | 4.94134 |
| Topological Polar Surface Area | 105.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 487.16782 |
| Heavy Atoms | 35 |
| Complexity | 1388.5845 |
Chemical Identifiers
| CAS Number | 835894-44-5 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)N/C(=N\S(=O)(=O)C2=CC=CC=C2)/NC3=CC=C(C=C3)OCC4=CC=CC=C4)C |
Product Overview
2-(benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-phenylmethoxyphenyl)guanidine (CAS 835894-44-5), with molecular formula C26H25N5O3S and molecular weight 487.17 g/mol. IUPAC: 2-(benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-phenylmethoxyphenyl)guanidine.
Chemical Property Profile of 2-(benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-phenylmethoxyphenyl)guanidine
Property Insights of 2-(benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-phenylmethoxyphenyl)guanidine
The XLogP value of 4.94134 indicates that 2-(benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-phenylmethoxyphenyl)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-phenylmethoxyphenyl)guanidine. Following Lipinski's Rule of Five, 2-(benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-phenylmethoxyphenyl)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-phenylmethoxyphenyl)guanidine?
The CAS number of 2-(benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-phenylmethoxyphenyl)guanidine is 835894-44-5.
What is the molecular formula of 2-(benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-phenylmethoxyphenyl)guanidine?
The molecular formula of 2-(benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-phenylmethoxyphenyl)guanidine is C26H25N5O3S.
What is the molecular weight of 2-(benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-phenylmethoxyphenyl)guanidine?
The molecular weight of 2-(benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-phenylmethoxyphenyl)guanidine is 487.17 g/mol.
Where can I buy 2-(benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-phenylmethoxyphenyl)guanidine?
You can request a quote for 2-(benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-phenylmethoxyphenyl)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-phenylmethoxyphenyl)guanidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzenesulfonyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-(4-phenylmethoxyphenyl)guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.