RefChem:309539
TL;DR: RefChem:309539 (CAS 5231-39-0) is a chemical compound with molecular formula C19H28Cl2N2O and molecular weight 370.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[3-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-yloxy)propyl]azanium dichloride
Also Known As: 6H-Cyclohepta(b)quinoline, 11-(3-(dimethylamino)propoxy)-7,8,9,10-tetrahydro-, dihydrochloride, 11-(3-(Dimethylamino)propoxy)-7,8,9,10-tetrahydro-6H-cyclohepta(b)quinoline dihydrochloride, dimethyl-[3-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-yloxy)propyl]azanium dichloride, RefChem:309539
| Molecular Formula | C19H28Cl2N2O |
|---|---|
| Molecular Weight | 370.16 g/mol |
| LogP | -4.16 |
| Topological Polar Surface Area | 27.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.15787 |
| Heavy Atoms | 24 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 5231-39-0 |
|---|---|
| SMILES | C[NH+](C)CCCOC1=C2CCCCCC2=[NH+]C3=CC=CC=C31.[Cl-].[Cl-] |
| InChIKey | UFPBVTYYAIYFKQ-UHFFFAOYSA-N |
Product Overview
RefChem:309539 (CAS 5231-39-0), with molecular formula C19H28Cl2N2O and molecular weight 370.16 g/mol. IUPAC: dimethyl-[3-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-yloxy)propyl]azanium dichloride.
Chemical Property Profile of RefChem:309539
Property Insights of RefChem:309539
The XLogP value of -4.16 indicates that RefChem:309539 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 27.8 Ų, RefChem:309539 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:309539 has 2 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:309539?
The CAS number of RefChem:309539 is 5231-39-0.
What is the molecular formula of RefChem:309539?
The molecular formula of RefChem:309539 is C19H28Cl2N2O.
What is the molecular weight of RefChem:309539?
The molecular weight of RefChem:309539 is 370.16 g/mol.
Where can I buy RefChem:309539?
You can request a quote for RefChem:309539 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:309539?
Yes, KEHONG BIO provides custom synthesis services for RefChem:309539 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.