RefChem:1095983
TL;DR: RefChem:1095983 (CAS 55037-75-7) is a chemical compound with molecular formula C31H38N2O8 and molecular weight 566.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperazine;bis((E)-but-2-enedioic acid)
Also Known As: 1-(Phenylmethyl)-4-((6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)methyl)piperazine dimaleate, Piperazine, 1-(phenylmethyl)-4-((6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)methyl)-, (Z)-2-butenedioate (1:2), 1-benzyl-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperazine; (E)-but-2-enedioic acid, RefChem:1095983
| Molecular Formula | C31H38N2O8 |
|---|---|
| Molecular Weight | 566.26 g/mol |
| LogP | 3.6969 |
| Topological Polar Surface Area | 155.68 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 566.2628 |
| Heavy Atoms | 41 |
| Complexity | 1135.8535 |
Chemical Identifiers
| CAS Number | 55037-75-7 |
|---|---|
| SMILES | C1CCC2=C(C=CC(=C2)CN3CCN(CC3)CC4=CC=CC=C4)CC1.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095983 (CAS 55037-75-7), with molecular formula C31H38N2O8 and molecular weight 566.26 g/mol. IUPAC: 1-benzyl-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperazine;bis((E)-but-2-enedioic acid).
Chemical Property Profile of RefChem:1095983
Property Insights of RefChem:1095983
The XLogP value of 3.6969 indicates that RefChem:1095983 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.68 Ų indicates high polarity, suggesting RefChem:1095983 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1095983 has 4 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 RefChem:1095983?
The CAS number of RefChem:1095983 is 55037-75-7.
What is the molecular formula of RefChem:1095983?
The molecular formula of RefChem:1095983 is C31H38N2O8.
What is the molecular weight of RefChem:1095983?
The molecular weight of RefChem:1095983 is 566.26 g/mol.
Where can I buy RefChem:1095983?
You can request a quote for RefChem:1095983 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095983?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095983 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.