Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-(imino(methylamino)methyl)-, butanedioate (1:1)
TL;DR: Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-(imino(methylamino)methyl)-, butanedioate (1:1) (CAS 65009-16-7) 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-[2,6-di(propan-2-yl)phenyl]-3-(N'-methylcarbamimidoyl)urea
Also Known As: Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-(imino(methylamino)methyl)-, butanedioate (1:1), N-(2,6-Bis(1-methylethyl)phenyl)-N'-methylamidino-urea succinate, Urea, 1-(2,6-bis(isopropyl)phenyl)-3-methylamidino-, succinate, N-(2,6-Bis(1-methylethyl)phenyl)-N'-(imino(methylamino)methyl)urea butanedioate (1:1), Butanedioic acid--N-[2,6-di(propan-2-yl)phenyl]-N'-(N'-methylcarbamimidoyl)urea (1/1)
| Molecular Formula | C19H30N4O5 |
|---|---|
| Molecular Weight | 394.22 g/mol |
| LogP | 2.9352 |
| Topological Polar Surface Area | 154.11 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.22162 |
| Heavy Atoms | 28 |
| Complexity | 674.0256 |
Chemical Identifiers
| CAS Number | 65009-16-7 |
|---|---|
| SMILES | CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NC(=NC)N.C(CC(=O)O)C(=O)O |
Product Overview
Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-(imino(methylamino)methyl)-, butanedioate (1:1) (CAS 65009-16-7), with molecular formula C19H30N4O5 and molecular weight 394.22 g/mol. IUPAC: butanedioic acid;1-[2,6-di(propan-2-yl)phenyl]-3-(N'-methylcarbamimidoyl)urea.
Chemical Property Profile of Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-(imino(methylamino)methyl)-, butanedioate (1:1)
Property Insights of Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-(imino(methylamino)methyl)-, butanedioate (1:1)
The XLogP value of 2.9352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-(imino(methylamino)methyl)-, butanedioate (1:1). The TPSA of 154.11 Ų indicates high polarity, suggesting Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-(imino(methylamino)methyl)-, butanedioate (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-(imino(methylamino)methyl)-, butanedioate (1:1) has 5 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 Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-(imino(methylamino)methyl)-, butanedioate (1:1)?
The CAS number of Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-(imino(methylamino)methyl)-, butanedioate (1:1) is 65009-16-7.
What is the molecular formula of Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-(imino(methylamino)methyl)-, butanedioate (1:1)?
The molecular formula of Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-(imino(methylamino)methyl)-, butanedioate (1:1) is C19H30N4O5.
What is the molecular weight of Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-(imino(methylamino)methyl)-, butanedioate (1:1)?
The molecular weight of Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-(imino(methylamino)methyl)-, butanedioate (1:1) is 394.22 g/mol.
Where can I buy Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-(imino(methylamino)methyl)-, butanedioate (1:1)?
You can request a quote for Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-(imino(methylamino)methyl)-, butanedioate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-(imino(methylamino)methyl)-, butanedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-(imino(methylamino)methyl)-, butanedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.