RefChem:349716
TL;DR: RefChem:349716 (CAS 28058-63-1) is a chemical compound with molecular formula C29H42Cl2N4O and molecular weight 532.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(9,9-dimethylacridin-10-yl)propyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide dichloride
Also Known As: C29H40N2O.2ClH.1/4H2O, C29-H40-N2-O.2Cl-H.1/4H2-O, 9,9-Dimethyl-10-(3-(4-carbamoyl-4-piperidinopiperidino)propyl)acridan 2HCl hydrate, Isonipecotamide, 1-(3-(9,9-dimethyl-10-acridanyl)propyl)-4-piperidino-, hydrochloride, hydrate (4:8:1), 1-[3-(9,9-dimethylacridin-10-yl)propyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide dichloride
| Molecular Formula | C29H42Cl2N4O |
|---|---|
| Molecular Weight | 532.27 g/mol |
| LogP | -4.17 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 532.27356 |
| Heavy Atoms | 36 |
| Complexity | 668.0 |
Chemical Identifiers
| CAS Number | 28058-63-1 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2N(C3=CC=CC=C31)CCC[NH+]4CCC(CC4)(C(=O)N)[NH+]5CCCCC5)C.[Cl-].[Cl-] |
| InChIKey | ZHSFBTTUQMEWAM-UHFFFAOYSA-N |
Product Overview
RefChem:349716 (CAS 28058-63-1), with molecular formula C29H42Cl2N4O and molecular weight 532.27 g/mol. IUPAC: 1-[3-(9,9-dimethylacridin-10-yl)propyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide dichloride.
Chemical Property Profile of RefChem:349716
Property Insights of RefChem:349716
The XLogP value of -4.17 indicates that RefChem:349716 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:349716 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349716 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:349716?
The CAS number of RefChem:349716 is 28058-63-1.
What is the molecular formula of RefChem:349716?
The molecular formula of RefChem:349716 is C29H42Cl2N4O.
What is the molecular weight of RefChem:349716?
The molecular weight of RefChem:349716 is 532.27 g/mol.
Where can I buy RefChem:349716?
You can request a quote for RefChem:349716 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349716?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349716 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.