RefChem:322640
TL;DR: RefChem:322640 (CAS 80785-14-4) 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-[[(4-chlorophenyl)azaniumylidene-phenylmethyl]amino]phenoxy]ethyl-di(propan-2-yl)azanium dichloride
Also Known As: Benzamidine, N'-(p-chlorophenyl)-N-(p-(2-(diisopropylamino)ethoxy)phenyl)-, dihydrochloride, N'-(p-Chlorophenyl)-N-(p-(2-(diisopropylamino)ethoxy)phenyl)benzamidine dihydrochloride, 2-[4-[[(4-chlorophenyl)azaniumylidene-phenylmethyl]amino]phenoxy]ethyl-di(propan-2-yl)azanium dichloride, RefChem:322640
| 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 | 80785-14-4 |
|---|---|
| SMILES | CC(C)[NH+](CCOC1=CC=C(C=C1)NC(=[NH+]C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C(C)C.[Cl-].[Cl-] |
| InChIKey | SDGGMXVBANQKIZ-UHFFFAOYSA-N |
Product Overview
RefChem:322640 (CAS 80785-14-4), with molecular formula C27H34Cl3N3O and molecular weight 521.18 g/mol. IUPAC: 2-[4-[[(4-chlorophenyl)azaniumylidene-phenylmethyl]amino]phenoxy]ethyl-di(propan-2-yl)azanium dichloride.
Chemical Property Profile of RefChem:322640
Property Insights of RefChem:322640
The XLogP value of -2.3 indicates that RefChem:322640 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:322640 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:322640 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:322640?
The CAS number of RefChem:322640 is 80785-14-4.
What is the molecular formula of RefChem:322640?
The molecular formula of RefChem:322640 is C27H34Cl3N3O.
What is the molecular weight of RefChem:322640?
The molecular weight of RefChem:322640 is 521.18 g/mol.
Where can I buy RefChem:322640?
You can request a quote for RefChem:322640 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:322640?
Yes, KEHONG BIO provides custom synthesis services for RefChem:322640 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.