Isocyclocelabenzine
TL;DR: Isocyclocelabenzine (CAS 70503-72-9) is a chemical compound with molecular formula C23H27N3O2 and molecular weight 377.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-phenyl-1,5,9-triazatricyclo[10.7.1.013,18]icosa-13,15,17-triene-6,19-dione
Also Known As: ISOCYCLOCELABENZINE, 9-Phenyl-3,4,5,6,8,9,10,11,12,13-decahydro-2,13-methano-2,6,10-benzotriazacyclopentadecine-1,7-dione
| Molecular Formula | C23H27N3O2 |
|---|---|
| Molecular Weight | 377.21 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 377.21033 |
| Heavy Atoms | 28 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 70503-72-9 |
|---|---|
| SMILES | C1CNC(=O)CC(NCCC2CN(C1)C(=O)C3=CC=CC=C23)C4=CC=CC=C4 |
| InChIKey | YLOOKVSZLSAFTR-UHFFFAOYSA-N |
Product Overview
Isocyclocelabenzine (CAS 70503-72-9), with molecular formula C23H27N3O2 and molecular weight 377.21 g/mol. IUPAC: 8-phenyl-1,5,9-triazatricyclo[10.7.1.013,18]icosa-13,15,17-triene-6,19-dione.
Chemical Property Profile of Isocyclocelabenzine
Property Insights of Isocyclocelabenzine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isocyclocelabenzine. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Isocyclocelabenzine. Following Lipinski's Rule of Five, Isocyclocelabenzine 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 Isocyclocelabenzine?
The CAS number of Isocyclocelabenzine is 70503-72-9.
What is the molecular formula of Isocyclocelabenzine?
The molecular formula of Isocyclocelabenzine is C23H27N3O2.
What is the molecular weight of Isocyclocelabenzine?
The molecular weight of Isocyclocelabenzine is 377.21 g/mol.
Where can I buy Isocyclocelabenzine?
You can request a quote for Isocyclocelabenzine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isocyclocelabenzine?
Yes, KEHONG BIO provides custom synthesis services for Isocyclocelabenzine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.