Variclene
TL;DR: Variclene (CAS 95646-62-1) is a chemical compound with molecular formula C57H72N4O7S and molecular weight 956.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis([4-[[4-(diethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium);2-hydroxypropanoic acid;sulfate
Also Known As: Variclene, [4-[[4-(diethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium;2-hydroxypropanoic acid;sulfate, Ethanaminium, N-(4-((4-(diethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, sulfate (1:1), mixt. with 2-hydroxypropanoic acid, [4-[[4-(diethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium; 2-hydroxypropanoic acid; sulfate, RefChem:193736
| Molecular Formula | C57H72N4O7S |
|---|---|
| Molecular Weight | 956.51 g/mol |
| LogP | 10.0218 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 15 |
| Exact Mass | 956.51215 |
| Heavy Atoms | 69 |
| Complexity | 688.0 |
Chemical Identifiers
| CAS Number | 95646-62-1 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=CC=C3.CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=CC=C3.CC(C(=O)O)O.[O-]S(=O)(=O)[O-] |
| InChIKey | PXHSBLDLVFPZIA-UHFFFAOYSA-L |
Product Overview
Variclene (CAS 95646-62-1), with molecular formula C57H72N4O7S and molecular weight 956.51 g/mol. IUPAC: bis([4-[[4-(diethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium);2-hydroxypropanoic acid;sulfate.
Chemical Property Profile of Variclene
Property Insights of Variclene
The XLogP value of 10.0218 indicates that Variclene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 159.0 Ų indicates high polarity, suggesting Variclene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Variclene has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Variclene?
The CAS number of Variclene is 95646-62-1.
What is the molecular formula of Variclene?
The molecular formula of Variclene is C57H72N4O7S.
What is the molecular weight of Variclene?
The molecular weight of Variclene is 956.51 g/mol.
Where can I buy Variclene?
You can request a quote for Variclene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Variclene?
Yes, KEHONG BIO provides custom synthesis services for Variclene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.