4-Aminobenzo-18-crown-6 sesquihydrate hydrochloride
TL;DR: 4-Aminobenzo-18-crown-6 sesquihydrate hydrochloride (CAS 205504-06-9) is a chemical compound with molecular formula C32H58Cl2N2O15 and molecular weight 780.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-amine);trihydrate;dihydrochloride
Also Known As: 4-Aminobenzo-18-crown-6 sesquihydrate hydrochloride, 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-amine trihydrate dihydrochloride, 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-19,21,23-trien-21-amine Trihydrate Dihydrochloride
| Molecular Formula | C32H58Cl2N2O15 |
|---|---|
| Molecular Weight | 780.32 g/mol |
| LogP | 0.5823 |
| Topological Polar Surface Area | 257.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 0 |
| Exact Mass | 780.3214 |
| Heavy Atoms | 51 |
| Complexity | 984.2834 |
Chemical Identifiers
| CAS Number | 205504-06-9 |
|---|---|
| SMILES | C1COCCOCCOC2=C(C=CC(=C2)N)OCCOCCO1.C1COCCOCCOC2=C(C=CC(=C2)N)OCCOCCO1.O.O.O.Cl.Cl |
Product Overview
4-Aminobenzo-18-crown-6 sesquihydrate hydrochloride (CAS 205504-06-9), with molecular formula C32H58Cl2N2O15 and molecular weight 780.32 g/mol. IUPAC: bis(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-amine);trihydrate;dihydrochloride.
Chemical Property Profile of 4-Aminobenzo-18-crown-6 sesquihydrate hydrochloride
Property Insights of 4-Aminobenzo-18-crown-6 sesquihydrate hydrochloride
The XLogP value of 0.5823 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Aminobenzo-18-crown-6 sesquihydrate hydrochloride. The TPSA of 257.3 Ų indicates high polarity, suggesting 4-Aminobenzo-18-crown-6 sesquihydrate hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Aminobenzo-18-crown-6 sesquihydrate hydrochloride has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Aminobenzo-18-crown-6 sesquihydrate hydrochloride?
The CAS number of 4-Aminobenzo-18-crown-6 sesquihydrate hydrochloride is 205504-06-9.
What is the molecular formula of 4-Aminobenzo-18-crown-6 sesquihydrate hydrochloride?
The molecular formula of 4-Aminobenzo-18-crown-6 sesquihydrate hydrochloride is C32H58Cl2N2O15.
What is the molecular weight of 4-Aminobenzo-18-crown-6 sesquihydrate hydrochloride?
The molecular weight of 4-Aminobenzo-18-crown-6 sesquihydrate hydrochloride is 780.32 g/mol.
Where can I buy 4-Aminobenzo-18-crown-6 sesquihydrate hydrochloride?
You can request a quote for 4-Aminobenzo-18-crown-6 sesquihydrate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Aminobenzo-18-crown-6 sesquihydrate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Aminobenzo-18-crown-6 sesquihydrate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.