1-Butyl-3-methylamidino-1-(2,6-xylyl)-urea succinate
TL;DR: 1-Butyl-3-methylamidino-1-(2,6-xylyl)-urea succinate (CAS 68657-08-9) is a chemical compound with molecular formula C19H30N4O5 and molecular weight 394.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butanedioic acid;1-butyl-1-(2,6-dimethylphenyl)-3-(N'-methylcarbamimidoyl)urea
Also Known As: 1-Butyl-3-methylamidino-1-(2,6-xylyl)-urea succinate, Urea, 1-butyl-3-methylamidino-1-(2,6-xylyl)-, succinate, Urea, N-butyl-N-(2,6-dimethylphenyl)-N'-(imino(methylamino)methyl)-, butanedioate (1:1), 1-(N-Butyl-1-(2,6-dimethylphenyl)carbamoyl)-3-methylguanidine acid succinate, N-Butyl-N-(2,6-dimethylphenyl)-N'-(imino(methylamino)methyl)urea butanedioate (1:1)
| Molecular Formula | C19H30N4O5 |
|---|---|
| Molecular Weight | 394.22 g/mol |
| LogP | 2.49984 |
| Topological Polar Surface Area | 145.32 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 394.22162 |
| Heavy Atoms | 28 |
| Complexity | 669.31445 |
Chemical Identifiers
| CAS Number | 68657-08-9 |
|---|---|
| SMILES | CCCCN(C1=C(C=CC=C1C)C)C(=O)NC(=NC)N.C(CC(=O)O)C(=O)O |
Product Overview
1-Butyl-3-methylamidino-1-(2,6-xylyl)-urea succinate (CAS 68657-08-9), with molecular formula C19H30N4O5 and molecular weight 394.22 g/mol. IUPAC: butanedioic acid;1-butyl-1-(2,6-dimethylphenyl)-3-(N'-methylcarbamimidoyl)urea.
Chemical Property Profile of 1-Butyl-3-methylamidino-1-(2,6-xylyl)-urea succinate
Property Insights of 1-Butyl-3-methylamidino-1-(2,6-xylyl)-urea succinate
The XLogP value of 2.49984 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butyl-3-methylamidino-1-(2,6-xylyl)-urea succinate. The TPSA of 145.32 Ų indicates high polarity, suggesting 1-Butyl-3-methylamidino-1-(2,6-xylyl)-urea succinate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Butyl-3-methylamidino-1-(2,6-xylyl)-urea succinate has 4 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 1-Butyl-3-methylamidino-1-(2,6-xylyl)-urea succinate?
The CAS number of 1-Butyl-3-methylamidino-1-(2,6-xylyl)-urea succinate is 68657-08-9.
What is the molecular formula of 1-Butyl-3-methylamidino-1-(2,6-xylyl)-urea succinate?
The molecular formula of 1-Butyl-3-methylamidino-1-(2,6-xylyl)-urea succinate is C19H30N4O5.
What is the molecular weight of 1-Butyl-3-methylamidino-1-(2,6-xylyl)-urea succinate?
The molecular weight of 1-Butyl-3-methylamidino-1-(2,6-xylyl)-urea succinate is 394.22 g/mol.
Where can I buy 1-Butyl-3-methylamidino-1-(2,6-xylyl)-urea succinate?
You can request a quote for 1-Butyl-3-methylamidino-1-(2,6-xylyl)-urea succinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butyl-3-methylamidino-1-(2,6-xylyl)-urea succinate?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-3-methylamidino-1-(2,6-xylyl)-urea succinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.