![2-Chloro-11-(4-methylpiperazino)dibenz[b,f]oxepin structure](/static/products/2201/22013-22-5.webp)
2-Chloro-11-(4-methylpiperazino)dibenz[b,f]oxepin
TL;DR: 2-Chloro-11-(4-methylpiperazino)dibenz[b,f]oxepin (CAS 22013-22-5) is a chemical compound with molecular formula C19H19ClN2O and molecular weight 326.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorobenzo[b][1]benzoxepin-5-yl)-4-methylpiperazine
Also Known As: Biomol-NT_000046, BPBio1_001273, 2-Chloro-11-(4-methylpiperazino)dibenz(b,f)oxepin, 2-Chloro-11-(4-methylpiperazino)dibenz[b,f]oxepin, Piperazine, 1-(8-chlorodibenz(b,f)oxepin-10-yl)-4-methyl-
| Molecular Formula | C19H19ClN2O |
|---|---|
| Molecular Weight | 326.12 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 15.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 326.1186 |
| Heavy Atoms | 23 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 22013-22-5 |
|---|---|
| SMILES | CN1CCN(CC1)C2=CC3=CC=CC=C3OC4=C2C=C(C=C4)Cl |
| InChIKey | OTKUTGIVEREJLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-11-(4-methylpiperazino)dibenz[b,f]oxepin (CAS 22013-22-5), with molecular formula C19H19ClN2O and molecular weight 326.12 g/mol. IUPAC: 1-(3-chlorobenzo[b][1]benzoxepin-5-yl)-4-methylpiperazine.
Chemical Property Profile of 2-Chloro-11-(4-methylpiperazino)dibenz[b,f]oxepin
Property Insights of 2-Chloro-11-(4-methylpiperazino)dibenz[b,f]oxepin
The XLogP value of 4.2 indicates that 2-Chloro-11-(4-methylpiperazino)dibenz[b,f]oxepin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.7 Ų, 2-Chloro-11-(4-methylpiperazino)dibenz[b,f]oxepin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-11-(4-methylpiperazino)dibenz[b,f]oxepin 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 2-Chloro-11-(4-methylpiperazino)dibenz[b,f]oxepin?
The CAS number of 2-Chloro-11-(4-methylpiperazino)dibenz[b,f]oxepin is 22013-22-5.
What is the molecular formula of 2-Chloro-11-(4-methylpiperazino)dibenz[b,f]oxepin?
The molecular formula of 2-Chloro-11-(4-methylpiperazino)dibenz[b,f]oxepin is C19H19ClN2O.
What is the molecular weight of 2-Chloro-11-(4-methylpiperazino)dibenz[b,f]oxepin?
The molecular weight of 2-Chloro-11-(4-methylpiperazino)dibenz[b,f]oxepin is 326.12 g/mol.
Where can I buy 2-Chloro-11-(4-methylpiperazino)dibenz[b,f]oxepin?
You can request a quote for 2-Chloro-11-(4-methylpiperazino)dibenz[b,f]oxepin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-11-(4-methylpiperazino)dibenz[b,f]oxepin?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-11-(4-methylpiperazino)dibenz[b,f]oxepin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.