N'-(2-Chloroethyl)-N-(4-phenylbutan-2-yl)carbamimidic acid
TL;DR: N'-(2-Chloroethyl)-N-(4-phenylbutan-2-yl)carbamimidic acid (CAS 102433-64-7) is a chemical compound with molecular formula C13H19ClN2O and molecular weight 254.11859 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chloroethyl)-3-(4-phenylbutan-2-yl)urea
Also Known As: 1-(2-Chloroethyl)-3-(1-methyl-3-phenylpropyl)urea, Urea, 1-(2-chloroethyl)-3-(4-phenyl-2-butyl)-, 1-(2-chloroethyl)-3-(4-phenylbutan-2-yl)urea, Urea,N-(2-chloroethyl)-N'-(1-methyl-3-phenylpropyl)-, N'-(2-Chloroethyl)-N-(4-phenylbutan-2-yl)carbamimidic acid
Technical Specifications
| Molecular Formula | C13H19ClN2O |
| Molecular Weight | 254.11859 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 254.11859 Da |
| Heavy Atoms | 17 |
| Complexity | 217.0 |
| SMILES | CC(CCC1=CC=CC=C1)NC(=O)NCCCl |
| InChIKey | RTQKULLNTQFYAT-UHFFFAOYSA-N |
Chemical Property Profile of N'-(2-Chloroethyl)-N-(4-phenylbutan-2-yl)carbamimidic acid
Property Insights of N'-(2-Chloroethyl)-N-(4-phenylbutan-2-yl)carbamimidic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-(2-Chloroethyl)-N-(4-phenylbutan-2-yl)carbamimidic acid. With a topological polar surface area (TPSA) of 41.1 Ų, N'-(2-Chloroethyl)-N-(4-phenylbutan-2-yl)carbamimidic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N'-(2-Chloroethyl)-N-(4-phenylbutan-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
What is the CAS number of N'-(2-Chloroethyl)-N-(4-phenylbutan-2-yl)carbamimidic acid?
The CAS number of N'-(2-Chloroethyl)-N-(4-phenylbutan-2-yl)carbamimidic acid is 102433-64-7.
What is the molecular formula of N'-(2-Chloroethyl)-N-(4-phenylbutan-2-yl)carbamimidic acid?
The molecular formula of N'-(2-Chloroethyl)-N-(4-phenylbutan-2-yl)carbamimidic acid is C13H19ClN2O.
What is the molecular weight of N'-(2-Chloroethyl)-N-(4-phenylbutan-2-yl)carbamimidic acid?
The molecular weight of N'-(2-Chloroethyl)-N-(4-phenylbutan-2-yl)carbamimidic acid is 254.11859 g/mol.
Where can I buy N'-(2-Chloroethyl)-N-(4-phenylbutan-2-yl)carbamimidic acid?
You can request a quote for N'-(2-Chloroethyl)-N-(4-phenylbutan-2-yl)carbamimidic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N'-(2-Chloroethyl)-N-(4-phenylbutan-2-yl)carbamimidic acid?
Yes, CoreyChem provides custom synthesis services for N'-(2-Chloroethyl)-N-(4-phenylbutan-2-yl)carbamimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.