T-82
TL;DR: T-82 (CAS 252264-92-9) is a chemical compound with molecular formula C30H33N3O6 and molecular weight 531.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1-benzylpiperidin-4-yl)ethyl]-9-methoxy-3H-pyrrolo[3,4-b]quinolin-1-one;(E)-but-2-enedioic acid
Also Known As: T-82, 2-(2-(1-Benzylpiperidin-4-yl)ethyl)-9-methoxy-2,3-dihydro-1H-pyrrolo[3,4-b]quinolin-1-one fumarate, 2-[2-(1-benzylpiperidin-4-yl)ethyl]-9-methoxy-3H-pyrrolo[3,4-b]quinolin-1-one; (E)-but-2-enedioic acid
| Molecular Formula | C30H33N3O6 |
|---|---|
| Molecular Weight | 531.24 g/mol |
| LogP | 4.2133 |
| Topological Polar Surface Area | 120.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 531.23694 |
| Heavy Atoms | 39 |
| Complexity | 1333.5647 |
Chemical Identifiers
| CAS Number | 252264-92-9 |
|---|---|
| SMILES | COC1=C2C(=NC3=CC=CC=C31)CN(C2=O)CCC4CCN(CC4)CC5=CC=CC=C5.C(=C/C(=O)O)\C(=O)O |
Product Overview
T-82 (CAS 252264-92-9), with molecular formula C30H33N3O6 and molecular weight 531.24 g/mol. IUPAC: 2-[2-(1-benzylpiperidin-4-yl)ethyl]-9-methoxy-3H-pyrrolo[3,4-b]quinolin-1-one;(E)-but-2-enedioic acid.
Chemical Property Profile of T-82
Property Insights of T-82
The XLogP value of 4.2133 indicates that T-82 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.27 Ų falls within the moderate polarity range, balancing permeability and solubility for T-82. Following Lipinski's Rule of Five, T-82 has 2 hydrogen bond donor(s) and 6 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 252264-92-9.
What is the molecular formula of T-82?
The molecular formula of T-82 is C30H33N3O6.
What is the molecular weight of T-82?
The molecular weight of T-82 is 531.24 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.