RefChem:1082585
TL;DR: RefChem:1082585 (CAS 78674-88-1) is a chemical compound with molecular formula C20H36N2O5 and molecular weight 384.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;3-[(E)-(2-butylcyclohexylidene)amino]oxy-N,N,2-trimethylpropan-1-amine
Also Known As: 2-Butylcyclohexanone O-(3-(dimethylamino)-2-methylpropyl)oxime (E)-2-butenedioate (1:1), Cyclohexanone, 2-butyl-, O-(3-(dimethylamino)-2-methylpropyl)oxime, (E)-2-butenedioate (1:1), 2-n-Butyl-1-(2'-methyl-3'-dimethylaminopropoxyimino)cyclohexane hydrogen fumarate, but-2-enedioic acid; 3-[(2-butylcyclohexylidene)amino]oxy-N,N,2-trimethylpropan-1-amine, RefChem:1082585
| Molecular Formula | C20H36N2O5 |
|---|---|
| Molecular Weight | 384.26 g/mol |
| LogP | 3.6489 |
| Topological Polar Surface Area | 99.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 384.26242 |
| Heavy Atoms | 27 |
| Complexity | 472.76373 |
Chemical Identifiers
| CAS Number | 78674-88-1 |
|---|---|
| SMILES | CCCCC\1CCCC/C1=N\OCC(C)CN(C)C.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1082585 (CAS 78674-88-1), with molecular formula C20H36N2O5 and molecular weight 384.26 g/mol. IUPAC: (E)-but-2-enedioic acid;3-[(E)-(2-butylcyclohexylidene)amino]oxy-N,N,2-trimethylpropan-1-amine.
Chemical Property Profile of RefChem:1082585
Property Insights of RefChem:1082585
The XLogP value of 3.6489 indicates that RefChem:1082585 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.43 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1082585. Following Lipinski's Rule of Five, RefChem:1082585 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:1082585?
The CAS number of RefChem:1082585 is 78674-88-1.
What is the molecular formula of RefChem:1082585?
The molecular formula of RefChem:1082585 is C20H36N2O5.
What is the molecular weight of RefChem:1082585?
The molecular weight of RefChem:1082585 is 384.26 g/mol.
Where can I buy RefChem:1082585?
You can request a quote for RefChem:1082585 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1082585?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1082585 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.