RefChem:309584
TL;DR: RefChem:309584 (CAS 30115-72-1) is a chemical compound with molecular formula C22H31ClN2 and molecular weight 358.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-(5,7,12,13-tetrahydrobenzo[d][2]benzazonin-6-yl)ethyl]azanium chloride
Also Known As: 6H-Dibenz(c,g)azonine, 5,7,12,13-tetrahydro-6-(2-(diethylamino)ethyl)-, hydrochloride, 6-(2-(Diethylamino)ethyl)-5,7,12,13-tetrahydro-6H-dibenz(c,g)azonine hydrochloride, diethyl-[2-(5,7,12,13-tetrahydrobenzo[d][2]benzazonin-6-yl)ethyl]azanium chloride, RefChem:309584
| Molecular Formula | C22H31ClN2 |
|---|---|
| Molecular Weight | 358.22 g/mol |
| LogP | -0.28 |
| Topological Polar Surface Area | 7.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.2176 |
| Heavy Atoms | 25 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 30115-72-1 |
|---|---|
| SMILES | CC[NH+](CC)CCN1CC2=CC=CC=C2CCC3=CC=CC=C3C1.[Cl-] |
| InChIKey | YUCSGARRCMRULN-UHFFFAOYSA-N |
Product Overview
RefChem:309584 (CAS 30115-72-1), with molecular formula C22H31ClN2 and molecular weight 358.22 g/mol. IUPAC: diethyl-[2-(5,7,12,13-tetrahydrobenzo[d][2]benzazonin-6-yl)ethyl]azanium chloride.
Chemical Property Profile of RefChem:309584
Property Insights of RefChem:309584
The XLogP value of -0.28 indicates that RefChem:309584 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 7.7 Ų, RefChem:309584 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:309584 has 1 hydrogen bond donor(s) and 2 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:309584?
The CAS number of RefChem:309584 is 30115-72-1.
What is the molecular formula of RefChem:309584?
The molecular formula of RefChem:309584 is C22H31ClN2.
What is the molecular weight of RefChem:309584?
The molecular weight of RefChem:309584 is 358.22 g/mol.
Where can I buy RefChem:309584?
You can request a quote for RefChem:309584 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:309584?
Yes, KEHONG BIO provides custom synthesis services for RefChem:309584 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.