RefChem:138110
TL;DR: RefChem:138110 (CAS 68156-17-2) is a chemical compound with molecular formula C29H30Cl2N4 and molecular weight 504.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(2-chlorophenyl)-[4-[2-cyanoethyl(ethyl)amino]phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(2-cyanoethyl)-ethylazanium chloride
Also Known As: Ethanaminium, N-(4-((2-chlorophenyl)(4-((2-cyanoethyl)ethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-2-cyano-N-ethyl-, chloride, 6-((2-Chlorophenyl)(4-(N-ethyl-N-beta-cyanoethylamino)phenyl)methylene)-1,4-cyclohexadiene-3-(N-ethyl-N-(beta-cyanoethyl)iminium) chloride, Ethanaminium, N-(4-((2-chlorophenyl)(4-((2-cyanoethyl)ethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-2-cyano-N-ethyl-, chloride (1:1), Ethanaminium, N-[4-[(2-chlorophenyl)[4-[(2-cyanoethyl)ethylamino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-2-cyano-N-ethyl-, chloride (1:1), n-{(1z,4z)-4-[(2-chlorophenyl){4-[(2-cyanoethyl)(ethyl)amino]phenyl}methylidene]cyclohexa-2,5-dien-1-ylidene}-2-cyano-n-ethylethanaminium chloride
| Molecular Formula | C29H30Cl2N4 |
|---|---|
| Molecular Weight | 504.18 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 53.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 504.18475 |
| Heavy Atoms | 35 |
| Complexity | 824.0 |
Chemical Identifiers
| CAS Number | 68156-17-2 |
|---|---|
| SMILES | CCN(CCC#N)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CCC#N)C=C2)C3=CC=CC=C3Cl.[Cl-] |
| InChIKey | PHOQDUAOIRSHNL-UHFFFAOYSA-M |
Product Overview
RefChem:138110 (CAS 68156-17-2), with molecular formula C29H30Cl2N4 and molecular weight 504.18 g/mol. IUPAC: [4-[(2-chlorophenyl)-[4-[2-cyanoethyl(ethyl)amino]phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(2-cyanoethyl)-ethylazanium chloride.
Chemical Property Profile of RefChem:138110
Property Insights of RefChem:138110
The XLogP value of 3.4 indicates that RefChem:138110 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.8 Ų, RefChem:138110 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:138110 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:138110?
The CAS number of RefChem:138110 is 68156-17-2.
What is the molecular formula of RefChem:138110?
The molecular formula of RefChem:138110 is C29H30Cl2N4.
What is the molecular weight of RefChem:138110?
The molecular weight of RefChem:138110 is 504.18 g/mol.
Where can I buy RefChem:138110?
You can request a quote for RefChem:138110 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:138110?
Yes, KEHONG BIO provides custom synthesis services for RefChem:138110 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.