RefChem:349709
TL;DR: RefChem:349709 (CAS 13805-49-7) is a chemical compound with molecular formula C28H38Cl2N4O2S and molecular weight 564.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(2-acetylphenothiazin-10-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride
Also Known As: C28H36N4O2S.2ClH.1/2H2O.C2H6O, Isonipecotamide, 1-(3-(2-acetylphenothiazin-10-yl)propyl)-4-piperidino-, hydrochloride, hydrate, ethanol (2:4:1:2), C28-H36-N4-O2-S.2Cl-H.1/2H2-O.C2-H6-O, 1'-[3-(2-Acetyl-10H-phenothiazin-10-yl)propyl][1,4'-bipiperidine]-4'-carboxamide--hydrogen chloride (1/2), 1-[3-(2-acetylphenothiazin-10-yl)propyl]-4-(1-piperidyl)piperidine-4-carboxamide Dihydrochloride
| Molecular Formula | C28H38Cl2N4O2S |
|---|---|
| Molecular Weight | 564.21 g/mol |
| LogP | 5.5314 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 564.2092 |
| Heavy Atoms | 37 |
| Complexity | 749.0 |
Chemical Identifiers
| CAS Number | 13805-49-7 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCC(CC4)(C(=O)N)N5CCCCC5.Cl.Cl |
| InChIKey | WMYYKNJLKGVZDL-UHFFFAOYSA-N |
Product Overview
RefChem:349709 (CAS 13805-49-7), with molecular formula C28H38Cl2N4O2S and molecular weight 564.21 g/mol. IUPAC: 1-[3-(2-acetylphenothiazin-10-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride.
Chemical Property Profile of RefChem:349709
Property Insights of RefChem:349709
The XLogP value of 5.5314 indicates that RefChem:349709 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:349709. Following Lipinski's Rule of Five, RefChem:349709 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:349709?
The CAS number of RefChem:349709 is 13805-49-7.
What is the molecular formula of RefChem:349709?
The molecular formula of RefChem:349709 is C28H38Cl2N4O2S.
What is the molecular weight of RefChem:349709?
The molecular weight of RefChem:349709 is 564.21 g/mol.
Where can I buy RefChem:349709?
You can request a quote for RefChem:349709 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349709?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349709 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.