Urea, 3-(9-acridinyl)-1-(3-bromoallyl)-
TL;DR: Urea, 3-(9-acridinyl)-1-(3-bromoallyl)- (CAS 102613-29-6) 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-[(E)-3-bromoprop-2-enyl]urea
Also Known As: 1-(3-Bromoallyl)-3-(9-acridinyl)urea, Urea, 3-(9-acridinyl)-1-(3-bromoallyl)-, 1-(9-Acridinyl)-3-(3-bromoallyl)urea, 1-acridin-9-yl-3-[(E)-3-bromoprop-2-enyl]urea, 1-(acridin-9-yl)-3-(3-bromoprop-2-en-1-yl)urea
| Molecular Formula | C17H14BrN3O |
|---|---|
| Molecular Weight | 355.03 g/mol |
| LogP | 4.4181 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.032 |
| Heavy Atoms | 22 |
| Complexity | 806.7766 |
Chemical Identifiers
| CAS Number | 102613-29-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC(=O)NC/C=C/Br |
Product Overview
Urea, 3-(9-acridinyl)-1-(3-bromoallyl)- (CAS 102613-29-6), with molecular formula C17H14BrN3O and molecular weight 355.03 g/mol. IUPAC: 1-acridin-9-yl-3-[(E)-3-bromoprop-2-enyl]urea.
Chemical Property Profile of Urea, 3-(9-acridinyl)-1-(3-bromoallyl)-
Property Insights of Urea, 3-(9-acridinyl)-1-(3-bromoallyl)-
The XLogP value of 4.4181 indicates that Urea, 3-(9-acridinyl)-1-(3-bromoallyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.02 Ų, Urea, 3-(9-acridinyl)-1-(3-bromoallyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urea, 3-(9-acridinyl)-1-(3-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, 3-(9-acridinyl)-1-(3-bromoallyl)-?
The CAS number of Urea, 3-(9-acridinyl)-1-(3-bromoallyl)- is 102613-29-6.
What is the molecular formula of Urea, 3-(9-acridinyl)-1-(3-bromoallyl)-?
The molecular formula of Urea, 3-(9-acridinyl)-1-(3-bromoallyl)- is C17H14BrN3O.
What is the molecular weight of Urea, 3-(9-acridinyl)-1-(3-bromoallyl)-?
The molecular weight of Urea, 3-(9-acridinyl)-1-(3-bromoallyl)- is 355.03 g/mol.
Where can I buy Urea, 3-(9-acridinyl)-1-(3-bromoallyl)-?
You can request a quote for Urea, 3-(9-acridinyl)-1-(3-bromoallyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, 3-(9-acridinyl)-1-(3-bromoallyl)-?
Yes, KEHONG BIO provides custom synthesis services for Urea, 3-(9-acridinyl)-1-(3-bromoallyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.