PINOXEPIN
TL;DR: PINOXEPIN (CAS 14008-46-9) is a chemical compound with molecular formula C23H29Cl3N2O2 and molecular weight 470.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[3-(2-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)propyl]piperazin-1-yl]ethanol;dihydrochloride
Also Known As: PINOXEPIN, 2-[4-[(3E)-3-(2-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)p
| Molecular Formula | C23H29Cl3N2O2 |
|---|---|
| Molecular Weight | 470.13 g/mol |
| LogP | 4.51 |
| Topological Polar Surface Area | 35.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 470.12946 |
| Heavy Atoms | 30 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 14008-46-9 |
|---|---|
| SMILES | C1CN(CCN1CCC=C2C3=CC=CC=C3COC4=C2C=C(C=C4)Cl)CCO.Cl.Cl |
| InChIKey | URBVIISFALGUAB-UHFFFAOYSA-N |
Product Overview
PINOXEPIN (CAS 14008-46-9), with molecular formula C23H29Cl3N2O2 and molecular weight 470.13 g/mol. IUPAC: 2-[4-[3-(2-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)propyl]piperazin-1-yl]ethanol;dihydrochloride.
Chemical Property Profile of PINOXEPIN
Property Insights of PINOXEPIN
The XLogP value of 4.51 indicates that PINOXEPIN is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.9 Ų, PINOXEPIN exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, PINOXEPIN has 3 hydrogen bond donor(s) and 4 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 PINOXEPIN?
The CAS number of PINOXEPIN is 14008-46-9.
What is the molecular formula of PINOXEPIN?
The molecular formula of PINOXEPIN is C23H29Cl3N2O2.
What is the molecular weight of PINOXEPIN?
The molecular weight of PINOXEPIN is 470.13 g/mol.
Where can I buy PINOXEPIN?
You can request a quote for PINOXEPIN directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PINOXEPIN?
Yes, KEHONG BIO provides custom synthesis services for PINOXEPIN and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.