RefChem:1095895
TL;DR: RefChem:1095895 (CAS 51490-25-6) is a chemical compound with molecular formula C19H26N2O4 and molecular weight 346.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)piperazine
Also Known As: 2-Piperazino-6,7,8,9-tetrahydro-5H-benzocycloheptene maleate, 1-(6,7,8,9-Tetrahydro-5H-benzocyclohepten-2-yl)piperazine maleate, Piperazine, 1-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)piperazine, RefChem:1095895
| Molecular Formula | C19H26N2O4 |
|---|---|
| Molecular Weight | 346.19 g/mol |
| LogP | 2.0769 |
| Topological Polar Surface Area | 89.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.18927 |
| Heavy Atoms | 25 |
| Complexity | 605.85016 |
Chemical Identifiers
| CAS Number | 51490-25-6 |
|---|---|
| SMILES | C1CCC2=C(CC1)C=C(C=C2)N3CCNCC3.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095895 (CAS 51490-25-6), with molecular formula C19H26N2O4 and molecular weight 346.19 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)piperazine.
Chemical Property Profile of RefChem:1095895
Property Insights of RefChem:1095895
The XLogP value of 2.0769 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1095895. The TPSA of 89.87 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1095895. Following Lipinski's Rule of Five, RefChem:1095895 has 3 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:1095895?
The CAS number of RefChem:1095895 is 51490-25-6.
What is the molecular formula of RefChem:1095895?
The molecular formula of RefChem:1095895 is C19H26N2O4.
What is the molecular weight of RefChem:1095895?
The molecular weight of RefChem:1095895 is 346.19 g/mol.
Where can I buy RefChem:1095895?
You can request a quote for RefChem:1095895 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095895?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095895 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.