3-(alpha-Methylphenethyl)-N-((p-sulfophenyl)carbamoyl)sidnone imine dihydrate
TL;DR: 3-(alpha-Methylphenethyl)-N-((p-sulfophenyl)carbamoyl)sidnone imine dihydrate (CAS 117015-70-0) is a chemical compound with molecular formula C18H18N4O5S and molecular weight 402.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]carbamoylamino]benzenesulfonate
Also Known As: 3-(alpha-Methylphenethyl)-N-((p-sulfophenyl)carbamoyl)sidnone imine dihydrate, N(sup 6)-(4-Sulfophenyl)carbamoyl-3-phenylisopropylsydnone imine, Sydnone imine, 3-(1-methyl-2-phenylethyl)-N-(((4-sulfophenyl)amino)carbonyl)-, dihydrate, 3-(1-Methyl-2-phenylethyl)-N-(((4-sulfophenyl)amino)carbonyl)sydnone imine dihydrate, 4-[[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]carbamoylamino]benzenesulfonate
| Molecular Formula | C18H18N4O5S |
|---|---|
| Molecular Weight | 402.10 g/mol |
| LogP | 2.3139 |
| Topological Polar Surface Area | 128.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.0998 |
| Heavy Atoms | 28 |
| Complexity | 1049.0947 |
Chemical Identifiers
| CAS Number | 117015-70-0 |
|---|---|
| SMILES | CC(CC1=CC=CC=C1)[N+]2=NOC(=C2)NC(=O)NC3=CC=C(C=C3)S(=O)(=O)[O-] |
Product Overview
3-(alpha-Methylphenethyl)-N-((p-sulfophenyl)carbamoyl)sidnone imine dihydrate (CAS 117015-70-0), with molecular formula C18H18N4O5S and molecular weight 402.10 g/mol. IUPAC: 4-[[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]carbamoylamino]benzenesulfonate.
Chemical Property Profile of 3-(alpha-Methylphenethyl)-N-((p-sulfophenyl)carbamoyl)sidnone imine dihydrate
Property Insights of 3-(alpha-Methylphenethyl)-N-((p-sulfophenyl)carbamoyl)sidnone imine dihydrate
The XLogP value of 2.3139 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(alpha-Methylphenethyl)-N-((p-sulfophenyl)carbamoyl)sidnone imine dihydrate. The TPSA of 128.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(alpha-Methylphenethyl)-N-((p-sulfophenyl)carbamoyl)sidnone imine dihydrate. Following Lipinski's Rule of Five, 3-(alpha-Methylphenethyl)-N-((p-sulfophenyl)carbamoyl)sidnone imine dihydrate has 2 hydrogen bond donor(s) and 6 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 3-(alpha-Methylphenethyl)-N-((p-sulfophenyl)carbamoyl)sidnone imine dihydrate?
The CAS number of 3-(alpha-Methylphenethyl)-N-((p-sulfophenyl)carbamoyl)sidnone imine dihydrate is 117015-70-0.
What is the molecular formula of 3-(alpha-Methylphenethyl)-N-((p-sulfophenyl)carbamoyl)sidnone imine dihydrate?
The molecular formula of 3-(alpha-Methylphenethyl)-N-((p-sulfophenyl)carbamoyl)sidnone imine dihydrate is C18H18N4O5S.
What is the molecular weight of 3-(alpha-Methylphenethyl)-N-((p-sulfophenyl)carbamoyl)sidnone imine dihydrate?
The molecular weight of 3-(alpha-Methylphenethyl)-N-((p-sulfophenyl)carbamoyl)sidnone imine dihydrate is 402.10 g/mol.
Where can I buy 3-(alpha-Methylphenethyl)-N-((p-sulfophenyl)carbamoyl)sidnone imine dihydrate?
You can request a quote for 3-(alpha-Methylphenethyl)-N-((p-sulfophenyl)carbamoyl)sidnone imine dihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(alpha-Methylphenethyl)-N-((p-sulfophenyl)carbamoyl)sidnone imine dihydrate?
Yes, KEHONG BIO provides custom synthesis services for 3-(alpha-Methylphenethyl)-N-((p-sulfophenyl)carbamoyl)sidnone imine dihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.