RefChem:138116
TL;DR: RefChem:138116 (CAS 76994-37-1) is a chemical compound with molecular formula C29H36N2O2 and molecular weight 444.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[[4-(diethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium acetate
Also Known As: (4-((4-(Diethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)diethylammonium acetate, Ethanaminium, N-(4-((4-(diethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, acetate (1:1), Ethanaminium, N-[4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, acetate, N-(4-((4-(Diethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene-N-ethylethanaminium, acetate, [4-[(4-diethylaminophenyl)-phenyl-methylidene]-1-cyclohexa-2,5-dienylidene]-diethyl-azanium acetate
| Molecular Formula | C29H36N2O2 |
|---|---|
| Molecular Weight | 444.28 g/mol |
| LogP | 4.7102 |
| Topological Polar Surface Area | 46.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.27768 |
| Heavy Atoms | 33 |
| Complexity | 592.0 |
Chemical Identifiers
| CAS Number | 76994-37-1 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=CC=C3.CC(=O)[O-] |
| InChIKey | ZACIFCVOARIOBT-UHFFFAOYSA-M |
Product Overview
RefChem:138116 (CAS 76994-37-1), with molecular formula C29H36N2O2 and molecular weight 444.28 g/mol. IUPAC: [4-[[4-(diethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium acetate.
Chemical Property Profile of RefChem:138116
Property Insights of RefChem:138116
The XLogP value of 4.7102 indicates that RefChem:138116 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.4 Ų, RefChem:138116 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:138116 has 0 hydrogen bond donor(s) and 3 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:138116?
The CAS number of RefChem:138116 is 76994-37-1.
What is the molecular formula of RefChem:138116?
The molecular formula of RefChem:138116 is C29H36N2O2.
What is the molecular weight of RefChem:138116?
The molecular weight of RefChem:138116 is 444.28 g/mol.
Where can I buy RefChem:138116?
You can request a quote for RefChem:138116 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:138116?
Yes, KEHONG BIO provides custom synthesis services for RefChem:138116 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.