RefChem:349708
TL;DR: RefChem:349708 (CAS 5610-87-7) is a chemical compound with molecular formula C25H36Cl2N4O and molecular weight 478.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-(dimethylamino)piperidine-4-carboxamide;dihydrochloride
Also Known As: Isonipecotamide, 1-(3-(10,11-dihydro-5H-dibenz(b,f)azepin-5-yl)propyl)-4-(dimethylamino)-, dihydrochloride, 1-(3-(10,11-Dihydro-5H-dibenz(b,f)azepin-5-yl)propyl)-4-(dimethylamino)isonipecotamide 2HCl, 1-[3-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]-4-(dimethylamino)piperidine-4-carboxamide--hydrogen chloride (1/2), 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-(dimethylamino)piperidine-4-carboxamide dihydrochloride, RefChem:349708
| Molecular Formula | C25H36Cl2N4O |
|---|---|
| Molecular Weight | 478.23 g/mol |
| LogP | 4.0385 |
| Topological Polar Surface Area | 52.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 478.22662 |
| Heavy Atoms | 32 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 5610-87-7 |
|---|---|
| SMILES | CN(C)C1(CCN(CC1)CCCN2C3=CC=CC=C3CCC4=CC=CC=C42)C(=O)N.Cl.Cl |
| InChIKey | IMYPWBVCAZTBGI-UHFFFAOYSA-N |
Product Overview
RefChem:349708 (CAS 5610-87-7), with molecular formula C25H36Cl2N4O and molecular weight 478.23 g/mol. IUPAC: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-(dimethylamino)piperidine-4-carboxamide;dihydrochloride.
Chemical Property Profile of RefChem:349708
Property Insights of RefChem:349708
The XLogP value of 4.0385 indicates that RefChem:349708 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.8 Ų, RefChem:349708 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349708 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 RefChem:349708?
The CAS number of RefChem:349708 is 5610-87-7.
What is the molecular formula of RefChem:349708?
The molecular formula of RefChem:349708 is C25H36Cl2N4O.
What is the molecular weight of RefChem:349708?
The molecular weight of RefChem:349708 is 478.23 g/mol.
Where can I buy RefChem:349708?
You can request a quote for RefChem:349708 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349708?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349708 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.