RefChem:322641
TL;DR: RefChem:322641 (CAS 80785-15-5) is a chemical compound with molecular formula C28H36Cl3N3O and molecular weight 535.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[[(4-chlorophenyl)azaniumylidene-phenylmethyl]amino]phenoxy]propyl-di(propan-2-yl)azanium dichloride
Also Known As: Benzamidine, N'-(p-chlorophenyl)-N-(p-(3-(diisopropylamino)propoxy)phenyl)-, dihydrochloride, N'-(p-Chlorophenyl)-N-(p-(3-(diisopropylamino)propoxy)phenyl)benzamidine dihydrochloride, 3-[4-[[(4-chlorophenyl)azaniumylidene-phenylmethyl]amino]phenoxy]propyl-di(propan-2-yl)azanium dichloride, RefChem:322641
| Molecular Formula | C28H36Cl3N3O |
|---|---|
| Molecular Weight | 535.19 g/mol |
| LogP | -1.91 |
| Topological Polar Surface Area | 39.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 535.1924 |
| Heavy Atoms | 35 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 80785-15-5 |
|---|---|
| SMILES | CC(C)[NH+](CCCOC1=CC=C(C=C1)NC(=[NH+]C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C(C)C.[Cl-].[Cl-] |
| InChIKey | NEKKHMXCNVYYFL-UHFFFAOYSA-N |
Product Overview
RefChem:322641 (CAS 80785-15-5), with molecular formula C28H36Cl3N3O and molecular weight 535.19 g/mol. IUPAC: 3-[4-[[(4-chlorophenyl)azaniumylidene-phenylmethyl]amino]phenoxy]propyl-di(propan-2-yl)azanium dichloride.
Chemical Property Profile of RefChem:322641
Property Insights of RefChem:322641
The XLogP value of -1.91 indicates that RefChem:322641 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:322641 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:322641 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:322641?
The CAS number of RefChem:322641 is 80785-15-5.
What is the molecular formula of RefChem:322641?
The molecular formula of RefChem:322641 is C28H36Cl3N3O.
What is the molecular weight of RefChem:322641?
The molecular weight of RefChem:322641 is 535.19 g/mol.
Where can I buy RefChem:322641?
You can request a quote for RefChem:322641 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:322641?
Yes, KEHONG BIO provides custom synthesis services for RefChem:322641 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.