RefChem:349714
TL;DR: RefChem:349714 (CAS 28027-99-8) is a chemical compound with molecular formula C28H38Cl2N4O and molecular weight 516.24 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-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide dichloride
Also Known As: C28H36N4O.2ClH.1/2H2O, C28-H36-N4-O.2Cl-H.1/2H2-O, Isonipecotamide, 1-(3-(5H-dibenz(b,f)azepin-5-yl)propyl)-4-piperidino-, hydrochloride, hydrate (2:4:1), 1-(3-benzo[b][1]benzazepin-11-ylpropyl)-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide dichloride, ISONIPECOTAMIDE, 1-(3-(5H-DIBENZ(b,f)AZEPIN-5-YL)PROPYL)-4-PIPERIDINO-, HYDROCHL
| Molecular Formula | C28H38Cl2N4O |
|---|---|
| Molecular Weight | 516.24 g/mol |
| LogP | -4.32 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 516.24225 |
| Heavy Atoms | 35 |
| Complexity | 653.0 |
Chemical Identifiers
| CAS Number | 28027-99-8 |
|---|---|
| SMILES | C1CC[NH+](CC1)C2(CC[NH+](CC2)CCCN3C4=CC=CC=C4C=CC5=CC=CC=C53)C(=O)N.[Cl-].[Cl-] |
| InChIKey | QKCHGFSKOPWXKS-UHFFFAOYSA-N |
Product Overview
RefChem:349714 (CAS 28027-99-8), with molecular formula C28H38Cl2N4O and molecular weight 516.24 g/mol. IUPAC: 1-(3-benzo[b][1]benzazepin-11-ylpropyl)-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide dichloride.
Chemical Property Profile of RefChem:349714
Property Insights of RefChem:349714
The XLogP value of -4.32 indicates that RefChem:349714 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:349714 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349714 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:349714?
The CAS number of RefChem:349714 is 28027-99-8.
What is the molecular formula of RefChem:349714?
The molecular formula of RefChem:349714 is C28H38Cl2N4O.
What is the molecular weight of RefChem:349714?
The molecular weight of RefChem:349714 is 516.24 g/mol.
Where can I buy RefChem:349714?
You can request a quote for RefChem:349714 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349714?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349714 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.