N-((p-Aminophenyl)carbamoyl)-3-(alpha-methylphenethyl)sidnone imine dihydrochloride
TL;DR: N-((p-Aminophenyl)carbamoyl)-3-(alpha-methylphenethyl)sidnone imine dihydrochloride (CAS 117015-71-1) is a chemical compound with molecular formula C18H21Cl2N5O2 and molecular weight 409.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-aminophenyl)-3-[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]urea;chloride;hydrochloride
Also Known As: N-((p-Aminophenyl)carbamoyl)-3-(alpha-methylphenethyl)sidnone imine dihydrochloride, N(sup 6)-(4-Aminophenyl)carbamoyl-3-phenylisopropylsydnone imine, Sydnone imine, N-(((4-aminophenyl)amino)carbonyl)-3-(1-methyl-2-phenylethyl)-, dihydrochloride, 1-(4-aminophenyl)-3-[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]urea chloride hydrochloride, RefChem:382728
| Molecular Formula | C18H21Cl2N5O2 |
|---|---|
| Molecular Weight | 409.11 g/mol |
| LogP | 0.4178 |
| Topological Polar Surface Area | 97.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.10724 |
| Heavy Atoms | 27 |
| Complexity | 840.473 |
Chemical Identifiers
| CAS Number | 117015-71-1 |
|---|---|
| SMILES | CC(CC1=CC=CC=C1)[N+]2=NOC(=C2)NC(=O)NC3=CC=C(C=C3)N.Cl.[Cl-] |
Product Overview
N-((p-Aminophenyl)carbamoyl)-3-(alpha-methylphenethyl)sidnone imine dihydrochloride (CAS 117015-71-1), with molecular formula C18H21Cl2N5O2 and molecular weight 409.11 g/mol. IUPAC: 1-(4-aminophenyl)-3-[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]urea;chloride;hydrochloride.
Chemical Property Profile of N-((p-Aminophenyl)carbamoyl)-3-(alpha-methylphenethyl)sidnone imine dihydrochloride
Property Insights of N-((p-Aminophenyl)carbamoyl)-3-(alpha-methylphenethyl)sidnone imine dihydrochloride
The XLogP value of 0.4178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((p-Aminophenyl)carbamoyl)-3-(alpha-methylphenethyl)sidnone imine dihydrochloride. The TPSA of 97.06 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((p-Aminophenyl)carbamoyl)-3-(alpha-methylphenethyl)sidnone imine dihydrochloride. Following Lipinski's Rule of Five, N-((p-Aminophenyl)carbamoyl)-3-(alpha-methylphenethyl)sidnone imine dihydrochloride has 3 hydrogen bond donor(s) and 4 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 N-((p-Aminophenyl)carbamoyl)-3-(alpha-methylphenethyl)sidnone imine dihydrochloride?
The CAS number of N-((p-Aminophenyl)carbamoyl)-3-(alpha-methylphenethyl)sidnone imine dihydrochloride is 117015-71-1.
What is the molecular formula of N-((p-Aminophenyl)carbamoyl)-3-(alpha-methylphenethyl)sidnone imine dihydrochloride?
The molecular formula of N-((p-Aminophenyl)carbamoyl)-3-(alpha-methylphenethyl)sidnone imine dihydrochloride is C18H21Cl2N5O2.
What is the molecular weight of N-((p-Aminophenyl)carbamoyl)-3-(alpha-methylphenethyl)sidnone imine dihydrochloride?
The molecular weight of N-((p-Aminophenyl)carbamoyl)-3-(alpha-methylphenethyl)sidnone imine dihydrochloride is 409.11 g/mol.
Where can I buy N-((p-Aminophenyl)carbamoyl)-3-(alpha-methylphenethyl)sidnone imine dihydrochloride?
You can request a quote for N-((p-Aminophenyl)carbamoyl)-3-(alpha-methylphenethyl)sidnone imine dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((p-Aminophenyl)carbamoyl)-3-(alpha-methylphenethyl)sidnone imine dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for N-((p-Aminophenyl)carbamoyl)-3-(alpha-methylphenethyl)sidnone imine dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.