RefChem:314842
TL;DR: RefChem:314842 (CAS 6076-60-4) is a chemical compound with molecular formula C31H38ClN3O and molecular weight 503.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-phenylpiperidin-4-yl]methyl]acetamide;hydrochloride
Also Known As: C31H37N3O.ClH.1/2H2O, C31-H37-N3-O.Cl-H.1/2H2-O, Acetamide, N-((1-(3-(10,11-dihydro-5H-dibenz(b,f)azepin-5-yl)propyl)-4-phenyl-4-piperidyl)methyl)-, hydrochloride, hydrate (2:2:1), Acetamide,N-[[1-[3-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)propyl]-4-phenyl-4-piperidinyl]methyl]-,hydrochloride (1:1), Acetamide,N-[[1-[3-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)propyl]-4-phenyl-4-piperidinyl]methyl]-,hydrochloride(1:1)
| Molecular Formula | C31H38ClN3O |
|---|---|
| Molecular Weight | 503.27 g/mol |
| LogP | 5.9051 |
| Topological Polar Surface Area | 35.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 503.27036 |
| Heavy Atoms | 36 |
| Complexity | 642.0 |
Chemical Identifiers
| CAS Number | 6076-60-4 |
|---|---|
| SMILES | CC(=O)NCC1(CCN(CC1)CCCN2C3=CC=CC=C3CCC4=CC=CC=C42)C5=CC=CC=C5.Cl |
| InChIKey | AMLMIKYBPQUBLW-UHFFFAOYSA-N |
Product Overview
RefChem:314842 (CAS 6076-60-4), with molecular formula C31H38ClN3O and molecular weight 503.27 g/mol. IUPAC: N-[[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-phenylpiperidin-4-yl]methyl]acetamide;hydrochloride.
Chemical Property Profile of RefChem:314842
Property Insights of RefChem:314842
The XLogP value of 5.9051 indicates that RefChem:314842 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.6 Ų, RefChem:314842 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:314842 has 2 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:314842?
The CAS number of RefChem:314842 is 6076-60-4.
What is the molecular formula of RefChem:314842?
The molecular formula of RefChem:314842 is C31H38ClN3O.
What is the molecular weight of RefChem:314842?
The molecular weight of RefChem:314842 is 503.27 g/mol.
Where can I buy RefChem:314842?
You can request a quote for RefChem:314842 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:314842?
Yes, KEHONG BIO provides custom synthesis services for RefChem:314842 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.