RefChem:1095671
TL;DR: RefChem:1095671 (CAS 55037-73-5) is a chemical compound with molecular formula C31H37ClN2O8 and molecular weight 600.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);1-[(4-chlorophenyl)methyl]-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperazine
Also Known As: Piperazine, 1-((4-chlorophenyl)methyl)-4-((6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)methyl)-, (Z)-2-butenedioate (1:2), (E)-but-2-enedioic acid; 1-[(4-chlorophenyl)methyl]-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperazine, RefChem:1095671
| Molecular Formula | C31H37ClN2O8 |
|---|---|
| Molecular Weight | 600.22 g/mol |
| LogP | 4.3503 |
| Topological Polar Surface Area | 155.68 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 600.2238 |
| Heavy Atoms | 42 |
| Complexity | 1186.0819 |
Chemical Identifiers
| CAS Number | 55037-73-5 |
|---|---|
| SMILES | C1CCC2=C(C=CC(=C2)CN3CCN(CC3)CC4=CC=C(C=C4)Cl)CC1.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095671 (CAS 55037-73-5), with molecular formula C31H37ClN2O8 and molecular weight 600.22 g/mol. IUPAC: bis((E)-but-2-enedioic acid);1-[(4-chlorophenyl)methyl]-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperazine.
Chemical Property Profile of RefChem:1095671
Property Insights of RefChem:1095671
The XLogP value of 4.3503 indicates that RefChem:1095671 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.68 Ų indicates high polarity, suggesting RefChem:1095671 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1095671 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:1095671?
The CAS number of RefChem:1095671 is 55037-73-5.
What is the molecular formula of RefChem:1095671?
The molecular formula of RefChem:1095671 is C31H37ClN2O8.
What is the molecular weight of RefChem:1095671?
The molecular weight of RefChem:1095671 is 600.22 g/mol.
Where can I buy RefChem:1095671?
You can request a quote for RefChem:1095671 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095671?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095671 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.