RefChem:1057732
TL;DR: RefChem:1057732 (CAS 86010-45-9) is a chemical compound with molecular formula C27H42Cl2N2O6 and molecular weight 560.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-bis[2-(3,4,5-trimethoxyphenyl)ethyl]-1,4-diazepane-1,4-diium dichloride
Also Known As: 1H-1,4-Diazepine, hexahydro-1,4-bis(2-(3,4,5-trimethoxyphenyl)ethyl)-, dihydrochloride, 1,4-Bis(2-(3,4,5-trimethoxyphenyl)ethyl)perhydro-1,4-diazepine dihydrochloride, 1,4-Bis(2-(3,4,5-trimethoxyphenyl)ethyl)hexahydro-1H-1,4-diazepine dihydrochloride, 1,4-bis[2-(3,4,5-trimethoxyphenyl)ethyl]-1,4-diazepane-1,4-diium dichloride, RefChem:1057732
| Molecular Formula | C27H42Cl2N2O6 |
|---|---|
| Molecular Weight | 560.24 g/mol |
| LogP | -5.3 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 560.242 |
| Heavy Atoms | 37 |
| Complexity | 508.0 |
Chemical Identifiers
| CAS Number | 86010-45-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)CC[NH+]2CCC[NH+](CC2)CCC3=CC(=C(C(=C3)OC)OC)OC.[Cl-].[Cl-] |
| InChIKey | NPUVAGMPEAYNTK-UHFFFAOYSA-N |
Product Overview
RefChem:1057732 (CAS 86010-45-9), with molecular formula C27H42Cl2N2O6 and molecular weight 560.24 g/mol. IUPAC: 1,4-bis[2-(3,4,5-trimethoxyphenyl)ethyl]-1,4-diazepane-1,4-diium dichloride.
Chemical Property Profile of RefChem:1057732
Property Insights of RefChem:1057732
The XLogP value of -5.3 indicates that RefChem:1057732 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1057732. Following Lipinski's Rule of Five, RefChem:1057732 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1057732?
The CAS number of RefChem:1057732 is 86010-45-9.
What is the molecular formula of RefChem:1057732?
The molecular formula of RefChem:1057732 is C27H42Cl2N2O6.
What is the molecular weight of RefChem:1057732?
The molecular weight of RefChem:1057732 is 560.24 g/mol.
Where can I buy RefChem:1057732?
You can request a quote for RefChem:1057732 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057732?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057732 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.