RefChem:349712
TL;DR: RefChem:349712 (CAS 28028-00-4) is a chemical compound with molecular formula C25H34Cl2N4O and molecular weight 476.21 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-carbamoylpiperidin-1-ium-4-yl]-dimethylazanium dichloride
Also Known As: C25H32N4O.2ClH.1/2H2O, C25-H32-N4-O.2Cl-H.1/2H2-O, Isonipecotamide, 1-(3-(5H-dibenz(b,f)azepin-5-yl)propyl)-4-(dimethylamino)-, hydrochloride, hydrate (2:4:1), [1-(3-benzo[b][1]benzazepin-11-ylpropyl)-4-carbamoylpiperidin-1-ium-4-yl]-dimethylazanium dichloride, ISONIPECOTAMIDE, 1-(3-(5H-DIBENZ(b,f)AZEPIN-5-YL)PROPYL)-4-(DIMETHYLAMINO)-, HYD
| Molecular Formula | C25H34Cl2N4O |
|---|---|
| Molecular Weight | 476.21 g/mol |
| LogP | -5.25 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 476.21097 |
| Heavy Atoms | 32 |
| Complexity | 584.0 |
Chemical Identifiers
| CAS Number | 28028-00-4 |
|---|---|
| SMILES | C[NH+](C)C1(CC[NH+](CC1)CCCN2C3=CC=CC=C3C=CC4=CC=CC=C42)C(=O)N.[Cl-].[Cl-] |
| InChIKey | WAGLEECRSQWYCZ-UHFFFAOYSA-N |
Product Overview
RefChem:349712 (CAS 28028-00-4), with molecular formula C25H34Cl2N4O and molecular weight 476.21 g/mol. IUPAC: [1-(3-benzo[b][1]benzazepin-11-ylpropyl)-4-carbamoylpiperidin-1-ium-4-yl]-dimethylazanium dichloride.
Chemical Property Profile of RefChem:349712
Property Insights of RefChem:349712
The XLogP value of -5.25 indicates that RefChem:349712 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.2 Ų, RefChem:349712 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349712 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:349712?
The CAS number of RefChem:349712 is 28028-00-4.
What is the molecular formula of RefChem:349712?
The molecular formula of RefChem:349712 is C25H34Cl2N4O.
What is the molecular weight of RefChem:349712?
The molecular weight of RefChem:349712 is 476.21 g/mol.
Where can I buy RefChem:349712?
You can request a quote for RefChem:349712 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349712?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349712 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.