Cambridge id 5428700
TL;DR: Cambridge id 5428700 (CAS 199671-50-6) is a chemical compound with molecular formula C12H14ClFN2O and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbaldehyde
Also Known As: AB00085204-01, 4-(2-Chloro-6-fluorobenzyl)piperazine-1-carbaldehyde, 4-[(2-chloro-6-fluoro-phenyl)methyl]piperazine-1-carbaldehyde, 4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbaldehyde
| Molecular Formula | C12H14ClFN2O |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.07788 |
| Heavy Atoms | 17 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 199671-50-6 |
|---|---|
| SMILES | C1CN(CCN1CC2=C(C=CC=C2Cl)F)C=O |
| InChIKey | BYMHZZHIWBRIEV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cambridge id 5428700 (CAS 199671-50-6), with molecular formula C12H14ClFN2O and molecular weight 256.08 g/mol. IUPAC: 4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbaldehyde.
Chemical Property Profile of Cambridge id 5428700
Property Insights of Cambridge id 5428700
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cambridge id 5428700. With a topological polar surface area (TPSA) of 23.6 Ų, Cambridge id 5428700 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cambridge id 5428700 has 0 hydrogen bond donor(s) and 3 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 5428700?
The CAS number of Cambridge id 5428700 is 199671-50-6.
What is the molecular formula of Cambridge id 5428700?
The molecular formula of Cambridge id 5428700 is C12H14ClFN2O.
What is the molecular weight of Cambridge id 5428700?
The molecular weight of Cambridge id 5428700 is 256.08 g/mol.
Where can I buy Cambridge id 5428700?
You can request a quote for Cambridge id 5428700 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cambridge id 5428700?
Yes, KEHONG BIO provides custom synthesis services for Cambridge id 5428700 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.