Centralite
TL;DR: Centralite (CAS 85-98-3) is a chemical compound with molecular formula C17H20N2O and molecular weight 268.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diethyl-1,3-diphenylurea
Also Known As: 1,3-Diethyl-1,3-diphenylurea, Centralite, Ethyl centralite, Carbamite, N,N'-Diethylcarbanilide
| Molecular Formula | C17H20N2O |
|---|---|
| Molecular Weight | 268.16 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.15756 |
| Heavy Atoms | 20 |
| Complexity | 265.0 |
| Melting Point | 78.9 °C |
| Boiling Point | 617 to 330.0 °C at 760 mmHg |
| Density | 1.12 at 20.0 °C |
| Solubility | less than 1 mg/mL at 70.7 °F (NTP, 1992) |
| Flash Point | 150.0 °C |
Chemical Identifiers
| CAS Number | 85-98-3 |
|---|---|
| SMILES | CCN(C1=CC=CC=C1)C(=O)N(CC)C2=CC=CC=C2 |
| InChIKey | PZIMIYVOZBTARW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Centralite (CAS 85-98-3), with molecular formula C17H20N2O and molecular weight 268.16 g/mol. IUPAC: 1,3-diethyl-1,3-diphenylurea.
Chemical Property Profile of Centralite
Property Insights of Centralite
The XLogP value of 3.6 indicates that Centralite is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, Centralite exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Centralite has 0 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 Centralite?
The CAS number of Centralite is 85-98-3.
What is the molecular formula of Centralite?
The molecular formula of Centralite is C17H20N2O.
What is the molecular weight of Centralite?
The molecular weight of Centralite is 268.16 g/mol.
Where can I buy Centralite?
You can request a quote for Centralite directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Centralite?
Yes, KEHONG BIO provides custom synthesis services for Centralite and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.