RefChem:322657
TL;DR: RefChem:322657 (CAS 80784-96-9) is a chemical compound with molecular formula C27H35Cl2N3O and molecular weight 487.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[[phenyl(phenylazaniumylidene)methyl]amino]phenoxy]ethyl-di(propan-2-yl)azanium dichloride
Also Known As: Benzamidine, N-(m-(2-(diisopropylamino)ethoxy)phenyl)-N'-phenyl-, dihydrochloride, N-(m-(2-(Diisopropylamino)ethoxy)phenyl)-N'-phenyl-benzamidine dihydrochloride, 2-[3-[(PHENYL-PHENYLAZANIUMYLIDENE-METHYL)AMINO]PHENOXY]ETHYL-DIPROPAN -2-YL-AZANIUM DICHLORIDE, 2-[3-[[phenyl(phenylazaniumylidene)methyl]amino]phenoxy]ethyl-di(propan-2-yl)azanium dichloride, 2-[3-[[phenyl(phenylazaniumylidene)methyl]amino]phenoxy]ethyl-di(propan-2-yl)azanium,dichloride
| Molecular Formula | C27H35Cl2N3O |
|---|---|
| Molecular Weight | 487.22 g/mol |
| LogP | -2.95 |
| Topological Polar Surface Area | 39.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 487.21573 |
| Heavy Atoms | 33 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 80784-96-9 |
|---|---|
| SMILES | CC(C)[NH+](CCOC1=CC=CC(=C1)NC(=[NH+]C2=CC=CC=C2)C3=CC=CC=C3)C(C)C.[Cl-].[Cl-] |
| InChIKey | KCTQGRJGRXDHPI-UHFFFAOYSA-N |
Product Overview
RefChem:322657 (CAS 80784-96-9), with molecular formula C27H35Cl2N3O and molecular weight 487.22 g/mol. IUPAC: 2-[3-[[phenyl(phenylazaniumylidene)methyl]amino]phenoxy]ethyl-di(propan-2-yl)azanium dichloride.
Chemical Property Profile of RefChem:322657
Property Insights of RefChem:322657
The XLogP value of -2.95 indicates that RefChem:322657 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:322657 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:322657 has 3 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:322657?
The CAS number of RefChem:322657 is 80784-96-9.
What is the molecular formula of RefChem:322657?
The molecular formula of RefChem:322657 is C27H35Cl2N3O.
What is the molecular weight of RefChem:322657?
The molecular weight of RefChem:322657 is 487.22 g/mol.
Where can I buy RefChem:322657?
You can request a quote for RefChem:322657 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:322657?
Yes, KEHONG BIO provides custom synthesis services for RefChem:322657 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.