Benz(a)acridine, 12-(bromomethyl)-
TL;DR: Benz(a)acridine, 12-(bromomethyl)- (CAS 38982-99-9) is a chemical compound with molecular formula C18H12BrN and molecular weight 321.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-(bromomethyl)benzo[a]acridine
Also Known As: 12-(bromomethyl)benzo[a]acridine, Benz(a)acridine, 12-(bromomethyl)-, 1,3-Bis(8-theophylline)propane
| Molecular Formula | C18H12BrN |
|---|---|
| Molecular Weight | 321.02 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 321.01532 |
| Heavy Atoms | 20 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 38982-99-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=NC4=CC=CC=C4C(=C32)CBr |
| InChIKey | OKTYDCKNSZMHJA-UHFFFAOYSA-N |
Product Overview
Benz(a)acridine, 12-(bromomethyl)- (CAS 38982-99-9), with molecular formula C18H12BrN and molecular weight 321.02 g/mol. IUPAC: 12-(bromomethyl)benzo[a]acridine.
Chemical Property Profile of Benz(a)acridine, 12-(bromomethyl)-
Property Insights of Benz(a)acridine, 12-(bromomethyl)-
The XLogP value of 5.3 indicates that Benz(a)acridine, 12-(bromomethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.9 Ų, Benz(a)acridine, 12-(bromomethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benz(a)acridine, 12-(bromomethyl)- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benz(a)acridine, 12-(bromomethyl)-?
The CAS number of Benz(a)acridine, 12-(bromomethyl)- is 38982-99-9.
What is the molecular formula of Benz(a)acridine, 12-(bromomethyl)-?
The molecular formula of Benz(a)acridine, 12-(bromomethyl)- is C18H12BrN.
What is the molecular weight of Benz(a)acridine, 12-(bromomethyl)-?
The molecular weight of Benz(a)acridine, 12-(bromomethyl)- is 321.02 g/mol.
Where can I buy Benz(a)acridine, 12-(bromomethyl)-?
You can request a quote for Benz(a)acridine, 12-(bromomethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benz(a)acridine, 12-(bromomethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benz(a)acridine, 12-(bromomethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.