(1-((5-Methyl-3-(2-methylsulfonylphenylsulfonyloxy)phenoxy)methyl)cyclopropyl-methoxy)guanidine hydrochloride
TL;DR: (1-((5-Methyl-3-(2-methylsulfonylphenylsulfonyloxy)phenoxy)methyl)cyclopropyl-methoxy)guanidine hydrochloride (CAS 208641-01-4) is a chemical compound with molecular formula C20H26ClN3O7S2 and molecular weight 519.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[[1-[(diaminomethylideneamino)oxymethyl]cyclopropyl]methoxy]-5-methylphenyl] 2-methylsulfonylbenzenesulfonate;hydrochloride
Also Known As: (1-((5-Methyl-3-(2-methylsulfonylphenylsulfonyloxy)phenoxy)methyl)cyclopropyl-methoxy)guanidine hydrochloride, BENZENESULFONIC ACID, 2-(METHYLSULFONYL)-, 3-((1-((((AMINOIMINOMETHYL)AMINO)OXY)METHYL)CYCLOPROPYL)METHOXY)-5-METHYLPHENYL ESTER, HYDROCHLORIDE (1:1), {1-[[5-Methyl-3-(2-methylsulfonylphenylsulfonyloxy)phenoxy]methyl]cyclopropylmethoxy}guanidine hydrochloride, 3-{[1-({[(Diaminomethylidene)amino]oxy}methyl)cyclopropyl]methoxy}-5-methylphenyl 2-(methanesulfonyl)benzene-1-sulfonate--hydrogen chloride (1/1), RefChem:187641
| Molecular Formula | C20H26ClN3O7S2 |
|---|---|
| Molecular Weight | 519.09 g/mol |
| LogP | 1.95202 |
| Topological Polar Surface Area | 160.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 519.0901 |
| Heavy Atoms | 33 |
| Complexity | 1240.0547 |
Chemical Identifiers
| CAS Number | 208641-01-4 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C)OCC3(CC3)CON=C(N)N.Cl |
Product Overview
(1-((5-Methyl-3-(2-methylsulfonylphenylsulfonyloxy)phenoxy)methyl)cyclopropyl-methoxy)guanidine hydrochloride (CAS 208641-01-4), with molecular formula C20H26ClN3O7S2 and molecular weight 519.09 g/mol. IUPAC: [3-[[1-[(diaminomethylideneamino)oxymethyl]cyclopropyl]methoxy]-5-methylphenyl] 2-methylsulfonylbenzenesulfonate;hydrochloride.
Chemical Property Profile of (1-((5-Methyl-3-(2-methylsulfonylphenylsulfonyloxy)phenoxy)methyl)cyclopropyl-methoxy)guanidine hydrochloride
Property Insights of (1-((5-Methyl-3-(2-methylsulfonylphenylsulfonyloxy)phenoxy)methyl)cyclopropyl-methoxy)guanidine hydrochloride
The XLogP value of 1.95202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-((5-Methyl-3-(2-methylsulfonylphenylsulfonyloxy)phenoxy)methyl)cyclopropyl-methoxy)guanidine hydrochloride. The TPSA of 160.37 Ų indicates high polarity, suggesting (1-((5-Methyl-3-(2-methylsulfonylphenylsulfonyloxy)phenoxy)methyl)cyclopropyl-methoxy)guanidine hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (1-((5-Methyl-3-(2-methylsulfonylphenylsulfonyloxy)phenoxy)methyl)cyclopropyl-methoxy)guanidine hydrochloride has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1-((5-Methyl-3-(2-methylsulfonylphenylsulfonyloxy)phenoxy)methyl)cyclopropyl-methoxy)guanidine hydrochloride?
The CAS number of (1-((5-Methyl-3-(2-methylsulfonylphenylsulfonyloxy)phenoxy)methyl)cyclopropyl-methoxy)guanidine hydrochloride is 208641-01-4.
What is the molecular formula of (1-((5-Methyl-3-(2-methylsulfonylphenylsulfonyloxy)phenoxy)methyl)cyclopropyl-methoxy)guanidine hydrochloride?
The molecular formula of (1-((5-Methyl-3-(2-methylsulfonylphenylsulfonyloxy)phenoxy)methyl)cyclopropyl-methoxy)guanidine hydrochloride is C20H26ClN3O7S2.
What is the molecular weight of (1-((5-Methyl-3-(2-methylsulfonylphenylsulfonyloxy)phenoxy)methyl)cyclopropyl-methoxy)guanidine hydrochloride?
The molecular weight of (1-((5-Methyl-3-(2-methylsulfonylphenylsulfonyloxy)phenoxy)methyl)cyclopropyl-methoxy)guanidine hydrochloride is 519.09 g/mol.
Where can I buy (1-((5-Methyl-3-(2-methylsulfonylphenylsulfonyloxy)phenoxy)methyl)cyclopropyl-methoxy)guanidine hydrochloride?
You can request a quote for (1-((5-Methyl-3-(2-methylsulfonylphenylsulfonyloxy)phenoxy)methyl)cyclopropyl-methoxy)guanidine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-((5-Methyl-3-(2-methylsulfonylphenylsulfonyloxy)phenoxy)methyl)cyclopropyl-methoxy)guanidine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for (1-((5-Methyl-3-(2-methylsulfonylphenylsulfonyloxy)phenoxy)methyl)cyclopropyl-methoxy)guanidine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.