RefChem:322631
TL;DR: RefChem:322631 (CAS 80785-19-9) is a chemical compound with molecular formula C27H34Cl3N3O and molecular weight 521.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[anilino-(4-chlorophenyl)methylidene]azaniumylphenoxy]ethyl-di(propan-2-yl)azanium dichloride
Also Known As: Benzamidine, 4-chloro-N-(p-(2-(diisopropylamino)ethoxy)phenyl)-N'-phenyl-, dihydrochloride, p-Chloro-N-(p-(2-(diisopropylamino)ethoxy)phenyl)-N'-phenyl-benzamidine dihydrochloride, 2-[4-[anilino-(4-chlorophenyl)methylidene]azaniumylphenoxy]ethyl-di(propan-2-yl)azanium dichloride, 2-[4-[(PHENYLAMINO)-(4-CHLOROPHENYL)METHYLIDENE]AZANIUMYLPHENOXY]ETHYL-DIPRO PAN-2-YL-AZANIUM DICHLORIDE, 2-[4-[anilino-(4-chlorophenyl)methylidene]azaniumylphenoxy]ethyl-di(propan-2-yl)azanium,dichloride
| Molecular Formula | C27H34Cl3N3O |
|---|---|
| Molecular Weight | 521.18 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 39.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 521.17676 |
| Heavy Atoms | 34 |
| Complexity | 537.0 |
Chemical Identifiers
| CAS Number | 80785-19-9 |
|---|---|
| SMILES | CC(C)[NH+](CCOC1=CC=C(C=C1)[NH+]=C(C2=CC=C(C=C2)Cl)NC3=CC=CC=C3)C(C)C.[Cl-].[Cl-] |
| InChIKey | CJXZTCYUBMLKMY-UHFFFAOYSA-N |
Product Overview
RefChem:322631 (CAS 80785-19-9), with molecular formula C27H34Cl3N3O and molecular weight 521.18 g/mol. IUPAC: 2-[4-[anilino-(4-chlorophenyl)methylidene]azaniumylphenoxy]ethyl-di(propan-2-yl)azanium dichloride.
Chemical Property Profile of RefChem:322631
Property Insights of RefChem:322631
The XLogP value of -2.3 indicates that RefChem:322631 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 39.7 Ų, RefChem:322631 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:322631 has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:322631?
The CAS number of RefChem:322631 is 80785-19-9.
What is the molecular formula of RefChem:322631?
The molecular formula of RefChem:322631 is C27H34Cl3N3O.
What is the molecular weight of RefChem:322631?
The molecular weight of RefChem:322631 is 521.18 g/mol.
Where can I buy RefChem:322631?
You can request a quote for RefChem:322631 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:322631?
Yes, KEHONG BIO provides custom synthesis services for RefChem:322631 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.