Celabenzine
TL;DR: Celabenzine (CAS 53938-08-2) is a chemical compound with molecular formula C23H29N3O2 and molecular weight 379.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-9-benzoyl-2-phenyl-1,5,9-triazacyclotridecan-4-one
Also Known As: Celabenzine, celabazine, (2S)-9-benzoyl-2-phenyl-1,5,9-triazacyclotridecan-4-one, RefChem:124275
| Molecular Formula | C23H29N3O2 |
|---|---|
| Molecular Weight | 379.23 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 379.22598 |
| Heavy Atoms | 28 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 53938-08-2 |
|---|---|
| SMILES | C1CCN(CCCNC(=O)C[C@H](NC1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3 |
| InChIKey | LSYKFBZWBDMZLQ-NRFANRHFSA-N |
Product Overview
Celabenzine (CAS 53938-08-2), with molecular formula C23H29N3O2 and molecular weight 379.23 g/mol. IUPAC: (2S)-9-benzoyl-2-phenyl-1,5,9-triazacyclotridecan-4-one.
Chemical Property Profile of Celabenzine
Property Insights of Celabenzine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Celabenzine. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Celabenzine. Following Lipinski's Rule of Five, Celabenzine has 2 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 Celabenzine?
The CAS number of Celabenzine is 53938-08-2.
What is the molecular formula of Celabenzine?
The molecular formula of Celabenzine is C23H29N3O2.
What is the molecular weight of Celabenzine?
The molecular weight of Celabenzine is 379.23 g/mol.
Where can I buy Celabenzine?
You can request a quote for Celabenzine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Celabenzine?
Yes, KEHONG BIO provides custom synthesis services for Celabenzine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.