![1-[bis(propan-2-ylamino)methylidene]-3-[2-(trifluoromethyl)phenyl]urea structure](/static/products/4531/4531-30-0.webp)
1-[bis(propan-2-ylamino)methylidene]-3-[2-(trifluoromethyl)phenyl]urea
TL;DR: 1-[bis(propan-2-ylamino)methylidene]-3-[2-(trifluoromethyl)phenyl]urea (CAS 4531-30-0) is a chemical compound with molecular formula C15H21F3N4O and molecular weight 330.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[N,N'-di(propan-2-yl)carbamimidoyl]-3-[2-(trifluoromethyl)phenyl]urea
Also Known As: 1-[bis(propan-2-ylamino)methylidene]-3-[2-(trifluoromethyl)phenyl]urea, 1-[N,N'-di(propan-2-yl)carbamimidoyl]-3-[2-(trifluoromethyl)phenyl]urea, N-[N,N'-Di(propan-2-yl)carbamimidoyl]-N'-[2-(trifluoromethyl)phenyl]urea, 3,3-bis[(methylethyl)amino]-N-[2-(trifluoromethyl)phenyl]-2-azaprop-2-enamide, RefChem:382237
| Molecular Formula | C15H21F3N4O |
|---|---|
| Molecular Weight | 330.17 g/mol |
| LogP | 3.5893 |
| Topological Polar Surface Area | 65.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.16675 |
| Heavy Atoms | 23 |
| Complexity | 568.0856 |
Chemical Identifiers
| CAS Number | 4531-30-0 |
|---|---|
| SMILES | CC(C)NC(=NC(C)C)NC(=O)NC1=CC=CC=C1C(F)(F)F |
Product Overview
1-[bis(propan-2-ylamino)methylidene]-3-[2-(trifluoromethyl)phenyl]urea (CAS 4531-30-0), with molecular formula C15H21F3N4O and molecular weight 330.17 g/mol. IUPAC: 1-[N,N'-di(propan-2-yl)carbamimidoyl]-3-[2-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of 1-[bis(propan-2-ylamino)methylidene]-3-[2-(trifluoromethyl)phenyl]urea
Property Insights of 1-[bis(propan-2-ylamino)methylidene]-3-[2-(trifluoromethyl)phenyl]urea
The XLogP value of 3.5893 indicates that 1-[bis(propan-2-ylamino)methylidene]-3-[2-(trifluoromethyl)phenyl]urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[bis(propan-2-ylamino)methylidene]-3-[2-(trifluoromethyl)phenyl]urea. Following Lipinski's Rule of Five, 1-[bis(propan-2-ylamino)methylidene]-3-[2-(trifluoromethyl)phenyl]urea has 3 hydrogen bond donor(s) and 2 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-[bis(propan-2-ylamino)methylidene]-3-[2-(trifluoromethyl)phenyl]urea?
The CAS number of 1-[bis(propan-2-ylamino)methylidene]-3-[2-(trifluoromethyl)phenyl]urea is 4531-30-0.
What is the molecular formula of 1-[bis(propan-2-ylamino)methylidene]-3-[2-(trifluoromethyl)phenyl]urea?
The molecular formula of 1-[bis(propan-2-ylamino)methylidene]-3-[2-(trifluoromethyl)phenyl]urea is C15H21F3N4O.
What is the molecular weight of 1-[bis(propan-2-ylamino)methylidene]-3-[2-(trifluoromethyl)phenyl]urea?
The molecular weight of 1-[bis(propan-2-ylamino)methylidene]-3-[2-(trifluoromethyl)phenyl]urea is 330.17 g/mol.
Where can I buy 1-[bis(propan-2-ylamino)methylidene]-3-[2-(trifluoromethyl)phenyl]urea?
You can request a quote for 1-[bis(propan-2-ylamino)methylidene]-3-[2-(trifluoromethyl)phenyl]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[bis(propan-2-ylamino)methylidene]-3-[2-(trifluoromethyl)phenyl]urea?
Yes, KEHONG BIO provides custom synthesis services for 1-[bis(propan-2-ylamino)methylidene]-3-[2-(trifluoromethyl)phenyl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.