Aminoguanidine deriv.
TL;DR: Aminoguanidine deriv. (CAS 139613-40-4) is a chemical compound with molecular formula C17H21BrN4O6S and molecular weight 488.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid
Also Known As: Aminoguanidine deriv., N1-Hydroxy-N3[(6-bromo-3,4-dimethoxybenzylidene)amino]guanidine tosyla te, 2-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid, 2-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine; 4-methylbenzenesulfonic acid, 4-Methylbenzene-1-sulfonic acid--N''-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-N-hydroxycarbonohydrazonic diamide (1/1)
| Molecular Formula | C17H21BrN4O6S |
|---|---|
| Molecular Weight | 488.04 g/mol |
| LogP | 2.33542 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.03653 |
| Heavy Atoms | 29 |
| Complexity | 520.0 |
Chemical Identifiers
| CAS Number | 139613-40-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(C=C(C(=C1)C=NN=C(N)NO)Br)OC |
| InChIKey | YJXCQHUVUSAOOJ-UHFFFAOYSA-N |
Product Overview
Aminoguanidine deriv. (CAS 139613-40-4), with molecular formula C17H21BrN4O6S and molecular weight 488.04 g/mol. IUPAC: 2-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid.
Chemical Property Profile of Aminoguanidine deriv.
Property Insights of Aminoguanidine deriv.
The XLogP value of 2.33542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aminoguanidine deriv.. The TPSA of 164.0 Ų indicates high polarity, suggesting Aminoguanidine deriv. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aminoguanidine deriv. has 4 hydrogen bond donor(s) and 8 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 Aminoguanidine deriv.?
The CAS number of Aminoguanidine deriv. is 139613-40-4.
What is the molecular formula of Aminoguanidine deriv.?
The molecular formula of Aminoguanidine deriv. is C17H21BrN4O6S.
What is the molecular weight of Aminoguanidine deriv.?
The molecular weight of Aminoguanidine deriv. is 488.04 g/mol.
Where can I buy Aminoguanidine deriv.?
You can request a quote for Aminoguanidine deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aminoguanidine deriv.?
Yes, KEHONG BIO provides custom synthesis services for Aminoguanidine deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.