Cambridge id 5455529
TL;DR: Cambridge id 5455529 (CAS 415970-50-2) is a chemical compound with molecular formula C12H15BrN2O and molecular weight 282.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-bromophenyl)methyl]piperazine-1-carbaldehyde
Also Known As: 4-[(3-bromophenyl)methyl]piperazine-1-carbaldehyde, 4-(3-Bromobenzyl)piperazine-1-carbaldehyde, AB00085556-01
| Molecular Formula | C12H15BrN2O |
|---|---|
| Molecular Weight | 282.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.03677 |
| Heavy Atoms | 16 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 415970-50-2 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC(=CC=C2)Br)C=O |
| InChIKey | ZKOJYSFVSYYGQQ-UHFFFAOYSA-N |
Product Overview
Cambridge id 5455529 (CAS 415970-50-2), with molecular formula C12H15BrN2O and molecular weight 282.04 g/mol. IUPAC: 4-[(3-bromophenyl)methyl]piperazine-1-carbaldehyde.
Chemical Property Profile of Cambridge id 5455529
Property Insights of Cambridge id 5455529
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cambridge id 5455529. With a topological polar surface area (TPSA) of 23.6 Ų, Cambridge id 5455529 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cambridge id 5455529 has 0 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 Cambridge id 5455529?
The CAS number of Cambridge id 5455529 is 415970-50-2.
What is the molecular formula of Cambridge id 5455529?
The molecular formula of Cambridge id 5455529 is C12H15BrN2O.
What is the molecular weight of Cambridge id 5455529?
The molecular weight of Cambridge id 5455529 is 282.04 g/mol.
Where can I buy Cambridge id 5455529?
You can request a quote for Cambridge id 5455529 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cambridge id 5455529?
Yes, KEHONG BIO provides custom synthesis services for Cambridge id 5455529 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.