RefChem:349711
TL;DR: RefChem:349711 (CAS 13805-48-6) is a chemical compound with molecular formula C27H38Cl2N4OS and molecular weight 536.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(2-methylphenothiazin-10-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride
Also Known As: Isonipecotamide, 1-(3-(2-methylphenothiazin-10-yl)propyl)-4-piperidino-, hydrochloride, hydrate (1:2:1), 1-[3-(2-methylphenothiazin-10-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide dihydrochloride, ISONIPECOTAMIDE, 1-(3-(2-METHYLPHENOTHIAZIN-10-YL)PROPYL)-4-PIPERIDINO-, HYDROCH, 1'-[3-(2-Methyl-10H-phenothiazin-10-yl)propyl][1,4'-bipiperidine]-4'-carboxamide--hydrogen chloride (1/2), RefChem:349711
| Molecular Formula | C27H38Cl2N4OS |
|---|---|
| Molecular Weight | 536.21 g/mol |
| LogP | 5.64 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 536.21436 |
| Heavy Atoms | 35 |
| Complexity | 661.0 |
Chemical Identifiers
| CAS Number | 13805-48-6 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCC(CC4)(C(=O)N)N5CCCCC5.Cl.Cl |
| InChIKey | TWFGKXHTZCLDJA-UHFFFAOYSA-N |
Product Overview
RefChem:349711 (CAS 13805-48-6), with molecular formula C27H38Cl2N4OS and molecular weight 536.21 g/mol. IUPAC: 1-[3-(2-methylphenothiazin-10-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride.
Chemical Property Profile of RefChem:349711
Property Insights of RefChem:349711
The XLogP value of 5.64 indicates that RefChem:349711 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:349711. Following Lipinski's Rule of Five, RefChem:349711 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:349711?
The CAS number of RefChem:349711 is 13805-48-6.
What is the molecular formula of RefChem:349711?
The molecular formula of RefChem:349711 is C27H38Cl2N4OS.
What is the molecular weight of RefChem:349711?
The molecular weight of RefChem:349711 is 536.21 g/mol.
Where can I buy RefChem:349711?
You can request a quote for RefChem:349711 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349711?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349711 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.