RefChem:369529
TL;DR: RefChem:369529 (CAS 5798-11-8) is a chemical compound with molecular formula C22H28Cl3N3S and molecular weight 471.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-10-[3-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propyl]phenothiazine;dihydrochloride
Also Known As: Phenothiazine, 2-chloro-10-(3-(3-methyl-3,8-diazabicyclo(3.2.1)oct-8-yl)propyl)-, dihydrochloride, 2-Chloro-10-[3-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propyl]-10H-phenothiazine--hydrogen chloride (1/2), 2-chloro-10-[3-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propyl]phenothiazine dihydrochloride, RefChem:369529
| Molecular Formula | C22H28Cl3N3S |
|---|---|
| Molecular Weight | 471.11 g/mol |
| LogP | 5.9548 |
| Topological Polar Surface Area | 35.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 471.10696 |
| Heavy Atoms | 29 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 5798-11-8 |
|---|---|
| SMILES | CN1CC2CCC(C1)N2CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl.Cl.Cl |
| InChIKey | LGUWCNCVRKWYMR-UHFFFAOYSA-N |
Product Overview
RefChem:369529 (CAS 5798-11-8), with molecular formula C22H28Cl3N3S and molecular weight 471.11 g/mol. IUPAC: 2-chloro-10-[3-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propyl]phenothiazine;dihydrochloride.
Chemical Property Profile of RefChem:369529
Property Insights of RefChem:369529
The XLogP value of 5.9548 indicates that RefChem:369529 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.0 Ų, RefChem:369529 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:369529 has 2 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:369529?
The CAS number of RefChem:369529 is 5798-11-8.
What is the molecular formula of RefChem:369529?
The molecular formula of RefChem:369529 is C22H28Cl3N3S.
What is the molecular weight of RefChem:369529?
The molecular weight of RefChem:369529 is 471.11 g/mol.
Where can I buy RefChem:369529?
You can request a quote for RefChem:369529 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:369529?
Yes, KEHONG BIO provides custom synthesis services for RefChem:369529 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.