1,3-Bis(2,4,4-trimethylpentan-2-yl)urea
TL;DR: 1,3-Bis(2,4,4-trimethylpentan-2-yl)urea (CAS 23819-87-6) is a chemical compound with molecular formula C17H36N2O and molecular weight 284.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(2,4,4-trimethylpentan-2-yl)urea
Also Known As: 1,3-bis(2,4,4-trimethylpentan-2-yl)urea, KST-1B2036, 1,3-Bis(1,1,3,3-tetramethylbutyl)urea, N,N'-Bis(2,4,4-trimethylpentan-2-yl)urea, Urea,N,N'-bis(1,1,3,3-tetramethylbutyl)-
| Molecular Formula | C17H36N2O |
|---|---|
| Molecular Weight | 284.28 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.28278 |
| Heavy Atoms | 20 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 23819-87-6 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)NC(=O)NC(C)(C)CC(C)(C)C |
| InChIKey | BVBFFLTWVPZXRZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Bis(2,4,4-trimethylpentan-2-yl)urea (CAS 23819-87-6), with molecular formula C17H36N2O and molecular weight 284.28 g/mol. IUPAC: 1,3-bis(2,4,4-trimethylpentan-2-yl)urea.
Chemical Property Profile of 1,3-Bis(2,4,4-trimethylpentan-2-yl)urea
Property Insights of 1,3-Bis(2,4,4-trimethylpentan-2-yl)urea
The XLogP value of 4.8 indicates that 1,3-Bis(2,4,4-trimethylpentan-2-yl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 1,3-Bis(2,4,4-trimethylpentan-2-yl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Bis(2,4,4-trimethylpentan-2-yl)urea 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 1,3-Bis(2,4,4-trimethylpentan-2-yl)urea?
The CAS number of 1,3-Bis(2,4,4-trimethylpentan-2-yl)urea is 23819-87-6.
What is the molecular formula of 1,3-Bis(2,4,4-trimethylpentan-2-yl)urea?
The molecular formula of 1,3-Bis(2,4,4-trimethylpentan-2-yl)urea is C17H36N2O.
What is the molecular weight of 1,3-Bis(2,4,4-trimethylpentan-2-yl)urea?
The molecular weight of 1,3-Bis(2,4,4-trimethylpentan-2-yl)urea is 284.28 g/mol.
Where can I buy 1,3-Bis(2,4,4-trimethylpentan-2-yl)urea?
You can request a quote for 1,3-Bis(2,4,4-trimethylpentan-2-yl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis(2,4,4-trimethylpentan-2-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(2,4,4-trimethylpentan-2-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.