RefChem:1095683
TL;DR: RefChem:1095683 (CAS 55037-85-9) is a chemical compound with molecular formula C24H32N2O8 and molecular weight 476.22 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-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperazine
Also Known As: 1-((6,7,8,9-Tetrahydro-5H-benzocyclohepten-2-yl)methyl)piperazine dimaleate, Piperazine, 1-((6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)methyl)-, (Z)-2-butenedioate (1:2), (E)-but-2-enedioic acid; 1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperazine, RefChem:1095683
| Molecular Formula | C24H32N2O8 |
|---|---|
| Molecular Weight | 476.22 g/mol |
| LogP | 1.7843 |
| Topological Polar Surface Area | 164.47 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 476.21585 |
| Heavy Atoms | 34 |
| Complexity | 822.95917 |
Chemical Identifiers
| CAS Number | 55037-85-9 |
|---|---|
| SMILES | C1CCC2=C(C=CC(=C2)CN3CCNCC3)CC1.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095683 (CAS 55037-85-9), with molecular formula C24H32N2O8 and molecular weight 476.22 g/mol. IUPAC: bis((E)-but-2-enedioic acid);1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperazine.
Chemical Property Profile of RefChem:1095683
Property Insights of RefChem:1095683
The XLogP value of 1.7843 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1095683. The TPSA of 164.47 Ų indicates high polarity, suggesting RefChem:1095683 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1095683 has 5 hydrogen bond donor(s) and 6 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:1095683?
The CAS number of RefChem:1095683 is 55037-85-9.
What is the molecular formula of RefChem:1095683?
The molecular formula of RefChem:1095683 is C24H32N2O8.
What is the molecular weight of RefChem:1095683?
The molecular weight of RefChem:1095683 is 476.22 g/mol.
Where can I buy RefChem:1095683?
You can request a quote for RefChem:1095683 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095683?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095683 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.