RefChem:233691
TL;DR: RefChem:233691 (CAS 3534-36-9) is a chemical compound with molecular formula C31H36ClN3O5S and molecular weight 597.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[1-(2-chlorophenothiazin-10-yl)propan-2-yl]piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate
Also Known As: T-82, 1-Piperazineethanol, 4-(1-(2-chloro-10-phenothiazinyl)-2-propyl)-, 3,4,5-trimethoxybenzoate, 2-{4-[1-(2-chloro-10H-phenothiazin-10-yl)propan-2-yl]piperazin-1-yl}ethyl 3,4,5-trimethoxybenzoate, 2-[4-[1-(2-chlorophenothiazin-10-yl)propan-2-yl]piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate, 4-[1-[(2-Chloro-10H-phenothiazin-10-yl)methyl]ethyl]-1-piperazineethanol 3,4,5-trimethoxybenzoate
| Molecular Formula | C31H36ClN3O5S |
|---|---|
| Molecular Weight | 597.21 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 89.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 597.2064 |
| Heavy Atoms | 41 |
| Complexity | 822.0 |
Chemical Identifiers
| CAS Number | 3534-36-9 |
|---|---|
| SMILES | CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)N4CCN(CC4)CCOC(=O)C5=CC(=C(C(=C5)OC)OC)OC |
| InChIKey | NYDGBTCXTKAFNE-UHFFFAOYSA-N |
Product Overview
RefChem:233691 (CAS 3534-36-9), with molecular formula C31H36ClN3O5S and molecular weight 597.21 g/mol. IUPAC: 2-[4-[1-(2-chlorophenothiazin-10-yl)propan-2-yl]piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate.
Chemical Property Profile of RefChem:233691
Property Insights of RefChem:233691
The XLogP value of 6.1 indicates that RefChem:233691 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:233691. Following Lipinski's Rule of Five, RefChem:233691 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:233691?
The CAS number of RefChem:233691 is 3534-36-9.
What is the molecular formula of RefChem:233691?
The molecular formula of RefChem:233691 is C31H36ClN3O5S.
What is the molecular weight of RefChem:233691?
The molecular weight of RefChem:233691 is 597.21 g/mol.
Where can I buy RefChem:233691?
You can request a quote for RefChem:233691 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:233691?
Yes, KEHONG BIO provides custom synthesis services for RefChem:233691 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.