RefChem:234954
TL;DR: RefChem:234954 (CAS 29573-87-3) is a chemical compound with molecular formula C21H27Cl2N3O2S and molecular weight 455.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenothiazin-10-ylpropan-1-one;dihydrochloride
Also Known As: 1-Propanone, 3-(4-(2-hydroxyethyl)piperazinyl)-1-(phenothiazin-10-yl)-, dihydrochloride, Phenothiazine, 10-(3-(4-(2-hydroxyethyl)piperazinyl)propionyl)-, dihydrochloride, Ketone, (2-(4-(2-hydroxyethyl)piperazinyl)ethyl) phenothiazin-10-yl, dihydrochloride, 1-Propanone,3-tert-butylamino-1-phenothiazin-10-yl-,hydrochloride, 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(10h-phenothiazin-10-yl)propan-1-one dihydrochloride
| Molecular Formula | C21H27Cl2N3O2S |
|---|---|
| Molecular Weight | 455.12 g/mol |
| LogP | 3.66 |
| Topological Polar Surface Area | 72.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.12012 |
| Heavy Atoms | 29 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 29573-87-3 |
|---|---|
| SMILES | C1CN(CCN1CCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)CCO.Cl.Cl |
| InChIKey | LTWLHRVVHNBGBR-UHFFFAOYSA-N |
Product Overview
RefChem:234954 (CAS 29573-87-3), with molecular formula C21H27Cl2N3O2S and molecular weight 455.12 g/mol. IUPAC: 3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenothiazin-10-ylpropan-1-one;dihydrochloride.
Chemical Property Profile of RefChem:234954
Property Insights of RefChem:234954
The XLogP value of 3.66 indicates that RefChem:234954 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:234954. Following Lipinski's Rule of Five, RefChem:234954 has 3 hydrogen bond donor(s) and 5 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:234954?
The CAS number of RefChem:234954 is 29573-87-3.
What is the molecular formula of RefChem:234954?
The molecular formula of RefChem:234954 is C21H27Cl2N3O2S.
What is the molecular weight of RefChem:234954?
The molecular weight of RefChem:234954 is 455.12 g/mol.
Where can I buy RefChem:234954?
You can request a quote for RefChem:234954 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:234954?
Yes, KEHONG BIO provides custom synthesis services for RefChem:234954 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.