RefChem:1095856
TL;DR: RefChem:1095856 (CAS 51490-31-4) is a chemical compound with molecular formula C28H36N2O4 and molecular weight 464.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-(3-phenylpropyl)-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)piperazine
Also Known As: 2-(4-(3-Phenylpropyl)piperazino)-6,7,8,9-tetrahydro-5H-benzocycloheptene maleate, Piperazine, 1-(3-phenylpropyl)-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, (Z)-2-butenedioate (1:1), 1-(3-Phenylpropyl)-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)piperazine maleate, (E)-but-2-enedioic acid; 1-(3-phenylpropyl)-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)piperazine, RefChem:1095856
| Molecular Formula | C28H36N2O4 |
|---|---|
| Molecular Weight | 464.27 g/mol |
| LogP | 4.4221 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 464.26752 |
| Heavy Atoms | 34 |
| Complexity | 934.1334 |
Chemical Identifiers
| CAS Number | 51490-31-4 |
|---|---|
| SMILES | C1CCC2=C(CC1)C=C(C=C2)N3CCN(CC3)CCCC4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095856 (CAS 51490-31-4), with molecular formula C28H36N2O4 and molecular weight 464.27 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(3-phenylpropyl)-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)piperazine.
Chemical Property Profile of RefChem:1095856
Property Insights of RefChem:1095856
The XLogP value of 4.4221 indicates that RefChem:1095856 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:1095856. Following Lipinski's Rule of Five, RefChem:1095856 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:1095856?
The CAS number of RefChem:1095856 is 51490-31-4.
What is the molecular formula of RefChem:1095856?
The molecular formula of RefChem:1095856 is C28H36N2O4.
What is the molecular weight of RefChem:1095856?
The molecular weight of RefChem:1095856 is 464.27 g/mol.
Where can I buy RefChem:1095856?
You can request a quote for RefChem:1095856 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095856?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095856 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.