RefChem:1083292
TL;DR: RefChem:1083292 (CAS 18180-92-2) is a chemical compound with molecular formula C25H30N2O4 and molecular weight 422.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;11-(2-pyrrolidin-1-ylethyl)-10,12-dihydro-5H-benzo[d][2]benzazocine
Also Known As: 5,6,7,12-Tetrahydro-6-(2-(1-pyrrolidinyl)ethyl)-dibenz(c,f)azocine maleate, Dibenz(c,f)azocine, 5,6,7,12-tetrahydro-6-(2-(1-pyrrolidinyl)ethyl)-, maleate (1:1), (Z)-but-2-enedioic acid; 11-(2-pyrrolidin-1-ylethyl)-10,12-dihydro-5H-benzo[d][2]benzazocine, RefChem:1083292
| Molecular Formula | C25H30N2O4 |
|---|---|
| Molecular Weight | 422.22 g/mol |
| LogP | 3.4006 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.22055 |
| Heavy Atoms | 31 |
| Complexity | 855.7429 |
Chemical Identifiers
| CAS Number | 18180-92-2 |
|---|---|
| SMILES | C1CCN(C1)CCN2CC3=CC=CC=C3CC4=CC=CC=C4C2.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1083292 (CAS 18180-92-2), with molecular formula C25H30N2O4 and molecular weight 422.22 g/mol. IUPAC: (Z)-but-2-enedioic acid;11-(2-pyrrolidin-1-ylethyl)-10,12-dihydro-5H-benzo[d][2]benzazocine.
Chemical Property Profile of RefChem:1083292
Property Insights of RefChem:1083292
The XLogP value of 3.4006 indicates that RefChem:1083292 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.08 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1083292. Following Lipinski's Rule of Five, RefChem:1083292 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1083292?
The CAS number of RefChem:1083292 is 18180-92-2.
What is the molecular formula of RefChem:1083292?
The molecular formula of RefChem:1083292 is C25H30N2O4.
What is the molecular weight of RefChem:1083292?
The molecular weight of RefChem:1083292 is 422.22 g/mol.
Where can I buy RefChem:1083292?
You can request a quote for RefChem:1083292 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1083292?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1083292 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.