T-82
TL;DR: T-82 (CAS 4875-39-2) 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-[3-(3-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate
Also Known As: T-82, T 82, 2-{4-[3-(3-chloro-10h-phenothiazin-10-yl)propyl]piperazin-1-yl}ethyl 3,4,5-trimethoxybenzoate, J3.022.176A, 2-[4-[3-(3-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate
| Molecular Formula | C31H36ClN3O5S |
|---|---|
| Molecular Weight | 597.21 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 89.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 597.2064 |
| Heavy Atoms | 41 |
| Complexity | 807.0 |
Chemical Identifiers
| CAS Number | 4875-39-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OCCN2CCN(CC2)CCCN3C4=C(C=C(C=C4)Cl)SC5=CC=CC=C53 |
| InChIKey | KZAJTVRKNKAXAG-UHFFFAOYSA-N |
Product Overview
T-82 (CAS 4875-39-2), with molecular formula C31H36ClN3O5S and molecular weight 597.21 g/mol. IUPAC: 2-[4-[3-(3-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate.
Chemical Property Profile of T-82
Property Insights of T-82
The XLogP value of 6.3 indicates that T-82 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 T-82. Following Lipinski's Rule of Five, T-82 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 T-82?
The CAS number of T-82 is 4875-39-2.
What is the molecular formula of T-82?
The molecular formula of T-82 is C31H36ClN3O5S.
What is the molecular weight of T-82?
The molecular weight of T-82 is 597.21 g/mol.
Where can I buy T-82?
You can request a quote for T-82 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for T-82?
Yes, KEHONG BIO provides custom synthesis services for T-82 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.