Urea, 1-(9-acridinyl)-3-(2-bromoallyl)-
TL;DR: Urea, 1-(9-acridinyl)-3-(2-bromoallyl)- (CAS 102613-28-5) is a chemical compound with molecular formula C17H14BrN3O and molecular weight 355.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-acridin-9-yl-3-(2-bromoprop-2-enyl)urea
Also Known As: Urea, 1-(9-acridinyl)-3-(2-bromoallyl)-, 1-(2-Bromoallyl)-3-(9-acridinyl)urea, 1-(9-Acridinyl)-3-(2-bromoallyl)urea, 1-acridin-9-yl-3-(2-bromoprop-2-enyl)urea, N-(Acridin-9-yl)-N'-(2-bromoprop-2-en-1-yl)urea
| Molecular Formula | C17H14BrN3O |
|---|---|
| Molecular Weight | 355.03 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.032 |
| Heavy Atoms | 22 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 102613-28-5 |
|---|---|
| SMILES | C=C(CNC(=O)NC1=C2C=CC=CC2=NC3=CC=CC=C31)Br |
| InChIKey | PMFFHYXVVVBLAK-UHFFFAOYSA-N |
Product Overview
Urea, 1-(9-acridinyl)-3-(2-bromoallyl)- (CAS 102613-28-5), with molecular formula C17H14BrN3O and molecular weight 355.03 g/mol. IUPAC: 1-acridin-9-yl-3-(2-bromoprop-2-enyl)urea.
Chemical Property Profile of Urea, 1-(9-acridinyl)-3-(2-bromoallyl)-
Property Insights of Urea, 1-(9-acridinyl)-3-(2-bromoallyl)-
The XLogP value of 3.7 indicates that Urea, 1-(9-acridinyl)-3-(2-bromoallyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, Urea, 1-(9-acridinyl)-3-(2-bromoallyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urea, 1-(9-acridinyl)-3-(2-bromoallyl)- has 2 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 Urea, 1-(9-acridinyl)-3-(2-bromoallyl)-?
The CAS number of Urea, 1-(9-acridinyl)-3-(2-bromoallyl)- is 102613-28-5.
What is the molecular formula of Urea, 1-(9-acridinyl)-3-(2-bromoallyl)-?
The molecular formula of Urea, 1-(9-acridinyl)-3-(2-bromoallyl)- is C17H14BrN3O.
What is the molecular weight of Urea, 1-(9-acridinyl)-3-(2-bromoallyl)-?
The molecular weight of Urea, 1-(9-acridinyl)-3-(2-bromoallyl)- is 355.03 g/mol.
Where can I buy Urea, 1-(9-acridinyl)-3-(2-bromoallyl)-?
You can request a quote for Urea, 1-(9-acridinyl)-3-(2-bromoallyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, 1-(9-acridinyl)-3-(2-bromoallyl)-?
Yes, KEHONG BIO provides custom synthesis services for Urea, 1-(9-acridinyl)-3-(2-bromoallyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.