RefChem:349745
TL;DR: RefChem:349745 (CAS 337-29-1) is a chemical compound with molecular formula C29H30ClN3 and molecular weight 455.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-benzo[b][1]benzazepin-11-ylpropyl)-4-phenylpiperidine-4-carbonitrile;hydrochloride
Also Known As: 1-(3-(5H-Dibenz(b,f)azepin-5-yl)propyl)-4-phenylisonipecotonitrile hydrochloride hydrate, Isonipecotonitrile, 1-(3-(5H-dibenz(b,f)azepin-5-yl)propyl)-4-phenyl-, monohydrochloride, hydrate, 1-[3-(5h-dibenzo[b,f]azepin-5-yl)propyl]-4-phenylpiperidine-4-carbonitrile hydrochloride(1:1), 1-(3-benzo[b][1]benzazepin-11-ylpropyl)-4-phenylpiperidine-4-carbonitrile hydrochloride, 1-(3-benzo[b][1]benzazepin-11-ylpropyl)-4-phenylpiperidine-4-carbonitrile,hydrochloride
| Molecular Formula | C29H30ClN3 |
|---|---|
| Molecular Weight | 455.21 g/mol |
| LogP | 6.67778 |
| Topological Polar Surface Area | 30.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.21283 |
| Heavy Atoms | 33 |
| Complexity | 650.0 |
Chemical Identifiers
| CAS Number | 337-29-1 |
|---|---|
| SMILES | C1CN(CCC1(C#N)C2=CC=CC=C2)CCCN3C4=CC=CC=C4C=CC5=CC=CC=C53.Cl |
| InChIKey | JRJBDKMNZJPNCF-UHFFFAOYSA-N |
Product Overview
RefChem:349745 (CAS 337-29-1), with molecular formula C29H30ClN3 and molecular weight 455.21 g/mol. IUPAC: 1-(3-benzo[b][1]benzazepin-11-ylpropyl)-4-phenylpiperidine-4-carbonitrile;hydrochloride.
Chemical Property Profile of RefChem:349745
Property Insights of RefChem:349745
The XLogP value of 6.67778 indicates that RefChem:349745 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.3 Ų, RefChem:349745 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349745 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:349745?
The CAS number of RefChem:349745 is 337-29-1.
What is the molecular formula of RefChem:349745?
The molecular formula of RefChem:349745 is C29H30ClN3.
What is the molecular weight of RefChem:349745?
The molecular weight of RefChem:349745 is 455.21 g/mol.
Where can I buy RefChem:349745?
You can request a quote for RefChem:349745 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349745?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349745 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.