RefChem:1057735
TL;DR: RefChem:1057735 (CAS 86010-43-7) is a chemical compound with molecular formula C17H30Cl2N2O3 and molecular weight 380.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,4-diazepane-1,4-diium dichloride
Also Known As: 1-Methyl-4-(2-(3,4,5-trimethoxyphenyl)ethyl)hexahydro-1H-1,4-diazepine dihydrochloride, 1H-1,4-Diazepine, hexahydro-1-methyl-4-(2-(3,4,5-trimethoxyphenyl)ethyl)-, dihydrochloride, 1-Methyl-4-(2-(3,4,5-trimethoxyphenyl)ethyl)perhydro-1,4-diazepine dihydrochloride, Propanamide,2-methyl-N-[2-methyl-4-[(2-methylphenyl)azo]phenyl], 1-methyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,4-diazepane-1,4-diium dichloride
| Molecular Formula | C17H30Cl2N2O3 |
|---|---|
| Molecular Weight | 380.16 g/mol |
| LogP | -6.93 |
| Topological Polar Surface Area | 36.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.16336 |
| Heavy Atoms | 24 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 86010-43-7 |
|---|---|
| SMILES | C[NH+]1CCC[NH+](CC1)CCC2=CC(=C(C(=C2)OC)OC)OC.[Cl-].[Cl-] |
| InChIKey | CTLIIINMIUATNJ-UHFFFAOYSA-N |
Product Overview
RefChem:1057735 (CAS 86010-43-7), with molecular formula C17H30Cl2N2O3 and molecular weight 380.16 g/mol. IUPAC: 1-methyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,4-diazepane-1,4-diium dichloride.
Chemical Property Profile of RefChem:1057735
Property Insights of RefChem:1057735
The XLogP value of -6.93 indicates that RefChem:1057735 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 36.6 Ų, RefChem:1057735 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1057735 has 2 hydrogen bond donor(s) and 5 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:1057735?
The CAS number of RefChem:1057735 is 86010-43-7.
What is the molecular formula of RefChem:1057735?
The molecular formula of RefChem:1057735 is C17H30Cl2N2O3.
What is the molecular weight of RefChem:1057735?
The molecular weight of RefChem:1057735 is 380.16 g/mol.
Where can I buy RefChem:1057735?
You can request a quote for RefChem:1057735 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057735?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057735 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.