N-(4-Methylphenyl)-N'-(3-propylhexan-2-yl)carbamimidic acid
TL;DR: N-(4-Methylphenyl)-N'-(3-propylhexan-2-yl)carbamimidic acid (CAS 52030-18-9) is a chemical compound with molecular formula C17H28N2O and molecular weight 276.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)-3-(3-propylhexan-2-yl)urea
Also Known As: N-(4-Methylphenyl)-N'-(3-propyl-2-hexyl)urea, N-(4-Methylphenyl)-N'-(1-methyl-2-propylpentyl)urea, Urea, N-(4-methylphenyl)-N'-(1-methyl-2-propylpentyl)-, 1-(4-methylphenyl)-3-(3-propylhexan-2-yl)urea, N-(4-Methylphenyl)-N'-(3-propylhexan-2-yl)carbamimidic acid
| Molecular Formula | C17H28N2O |
|---|---|
| Molecular Weight | 276.22 g/mol |
| LogP | 4.72142 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 276.22015 |
| Heavy Atoms | 20 |
| Complexity | 393.95596 |
Chemical Identifiers
| CAS Number | 52030-18-9 |
|---|---|
| SMILES | CCCC(CCC)C(C)NC(=O)NC1=CC=C(C=C1)C |
Product Overview
N-(4-Methylphenyl)-N'-(3-propylhexan-2-yl)carbamimidic acid (CAS 52030-18-9), with molecular formula C17H28N2O and molecular weight 276.22 g/mol. IUPAC: 1-(4-methylphenyl)-3-(3-propylhexan-2-yl)urea.
Chemical Property Profile of N-(4-Methylphenyl)-N'-(3-propylhexan-2-yl)carbamimidic acid
Property Insights of N-(4-Methylphenyl)-N'-(3-propylhexan-2-yl)carbamimidic acid
The XLogP value of 4.72142 indicates that N-(4-Methylphenyl)-N'-(3-propylhexan-2-yl)carbamimidic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, N-(4-Methylphenyl)-N'-(3-propylhexan-2-yl)carbamimidic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-Methylphenyl)-N'-(3-propylhexan-2-yl)carbamimidic acid has 2 hydrogen bond donor(s) and 1 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-(4-Methylphenyl)-N'-(3-propylhexan-2-yl)carbamimidic acid?
The CAS number of N-(4-Methylphenyl)-N'-(3-propylhexan-2-yl)carbamimidic acid is 52030-18-9.
What is the molecular formula of N-(4-Methylphenyl)-N'-(3-propylhexan-2-yl)carbamimidic acid?
The molecular formula of N-(4-Methylphenyl)-N'-(3-propylhexan-2-yl)carbamimidic acid is C17H28N2O.
What is the molecular weight of N-(4-Methylphenyl)-N'-(3-propylhexan-2-yl)carbamimidic acid?
The molecular weight of N-(4-Methylphenyl)-N'-(3-propylhexan-2-yl)carbamimidic acid is 276.22 g/mol.
Where can I buy N-(4-Methylphenyl)-N'-(3-propylhexan-2-yl)carbamimidic acid?
You can request a quote for N-(4-Methylphenyl)-N'-(3-propylhexan-2-yl)carbamimidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Methylphenyl)-N'-(3-propylhexan-2-yl)carbamimidic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Methylphenyl)-N'-(3-propylhexan-2-yl)carbamimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.