Nelezaprine
TL;DR: Nelezaprine (CAS 62541-85-9) is a chemical compound with molecular formula C18H21ClN2 and molecular weight 300.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(9-chloro-5,6-dihydropyrrolo[1,2-c][3]benzazepin-11-ylidene)-N,N-dimethylpropan-1-amine
Also Known As: Nelezaprine, 3-Cdpbdp, 3-(9-Chloro-5,6-dihydro-11H-pyrrolo[2,1-b][3]benzazepin-11-ylidene)-N,N-dimethylpropan-1-amine, 3-(9-Chloro-6,11-dihydro-5H-pyrrolo(2,1-B)(3)benzazepin-11-ylidene)-N,N-dimethyl-1-propanamine, 1-Propanamine,3-(5,6-dihydro-11H-pyrrolo[2,1-b][3]benzazepin-11-ylidene)-N,N-dimethyl-
| Molecular Formula | C18H21ClN2 |
|---|---|
| Molecular Weight | 300.14 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 8.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.1393 |
| Heavy Atoms | 21 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 62541-85-9 |
|---|---|
| SMILES | CN(C)CCC=C1C2=CC=CN2CCC3=C1C=C(C=C3)Cl |
| InChIKey | HOVKCSFHZRYZBX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nelezaprine (CAS 62541-85-9), with molecular formula C18H21ClN2 and molecular weight 300.14 g/mol. IUPAC: 3-(9-chloro-5,6-dihydropyrrolo[1,2-c][3]benzazepin-11-ylidene)-N,N-dimethylpropan-1-amine.
Chemical Property Profile of Nelezaprine
Property Insights of Nelezaprine
The XLogP value of 3.5 indicates that Nelezaprine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 8.2 Ų, Nelezaprine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nelezaprine has 0 hydrogen bond donor(s) and 1 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 Nelezaprine?
The CAS number of Nelezaprine is 62541-85-9.
What is the molecular formula of Nelezaprine?
The molecular formula of Nelezaprine is C18H21ClN2.
What is the molecular weight of Nelezaprine?
The molecular weight of Nelezaprine is 300.14 g/mol.
Where can I buy Nelezaprine?
You can request a quote for Nelezaprine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nelezaprine?
Yes, KEHONG BIO provides custom synthesis services for Nelezaprine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.