RefChem:1100063
TL;DR: RefChem:1100063 (CAS 63869-61-4) is a chemical compound with molecular formula C23H29Cl3N2OS and molecular weight 486.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(3E)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]propan-1-ol;dihydrochloride
Also Known As: N 793, Thioxanthene, 2-chloro-9-(3-(4-(3-hydroxypropyl)piperazinyl)propylidene)-, dihydrochloride, 4-(3-(2-Chlorothioxanth-9-ylidene)propyl)-1-piperazinepropanol dihydrochloride, 1-Piperazinepropanol, 4-(3-(2-chlorothioxanth-9-ylidene)propyl)-, dihydrochloride, 1-Piperazinepropanol, 4-[3-(2-chloro-9H-thioxanthen-9-ylidene)propyl]-, dihydrochloride
| Molecular Formula | C23H29Cl3N2OS |
|---|---|
| Molecular Weight | 486.11 g/mol |
| LogP | 5.47 |
| Topological Polar Surface Area | 26.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 486.10663 |
| Heavy Atoms | 30 |
| Complexity | 854.0919 |
Chemical Identifiers
| CAS Number | 63869-61-4 |
|---|---|
| SMILES | C1CN(CCN1CCCO)CC/C=C/2\C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.Cl.Cl |
Product Overview
RefChem:1100063 (CAS 63869-61-4), with molecular formula C23H29Cl3N2OS and molecular weight 486.11 g/mol. IUPAC: 3-[4-[(3E)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]propan-1-ol;dihydrochloride.
Chemical Property Profile of RefChem:1100063
Property Insights of RefChem:1100063
The XLogP value of 5.47 indicates that RefChem:1100063 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.71 Ų, RefChem:1100063 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1100063 has 1 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:1100063?
The CAS number of RefChem:1100063 is 63869-61-4.
What is the molecular formula of RefChem:1100063?
The molecular formula of RefChem:1100063 is C23H29Cl3N2OS.
What is the molecular weight of RefChem:1100063?
The molecular weight of RefChem:1100063 is 486.11 g/mol.
Where can I buy RefChem:1100063?
You can request a quote for RefChem:1100063 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1100063?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1100063 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.