RefChem:1096036
TL;DR: RefChem:1096036 (CAS 55212-61-8) is a chemical compound with molecular formula C18H25N3O5 and molecular weight 363.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-nitroso-4-[(2,4,6-trimethylphenyl)methyl]piperazine
Also Known As: 1-Nitroso-4-((2,4,6-trimethylphenyl)methyl)piperazine (Z)-2-butenedioate, Piperazine, 1-nitroso-4-((2,4,6-trimethylphenyl)methyl)-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 1-nitroso-4-[(2,4,6-trimethylphenyl)methyl]piperazine, RefChem:1096036
| Molecular Formula | C18H25N3O5 |
|---|---|
| Molecular Weight | 363.18 g/mol |
| LogP | 2.12266 |
| Topological Polar Surface Area | 110.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.1794 |
| Heavy Atoms | 26 |
| Complexity | 640.3993 |
Chemical Identifiers
| CAS Number | 55212-61-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)CN2CCN(CC2)N=O)C.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1096036 (CAS 55212-61-8), with molecular formula C18H25N3O5 and molecular weight 363.18 g/mol. IUPAC: (E)-but-2-enedioic acid;1-nitroso-4-[(2,4,6-trimethylphenyl)methyl]piperazine.
Chemical Property Profile of RefChem:1096036
Property Insights of RefChem:1096036
The XLogP value of 2.12266 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1096036. The TPSA of 110.51 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1096036. Following Lipinski's Rule of Five, RefChem:1096036 has 2 hydrogen bond donor(s) and 5 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:1096036?
The CAS number of RefChem:1096036 is 55212-61-8.
What is the molecular formula of RefChem:1096036?
The molecular formula of RefChem:1096036 is C18H25N3O5.
What is the molecular weight of RefChem:1096036?
The molecular weight of RefChem:1096036 is 363.18 g/mol.
Where can I buy RefChem:1096036?
You can request a quote for RefChem:1096036 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1096036?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1096036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.