RefChem:326490
TL;DR: RefChem:326490 (CAS 54995-94-7) is a chemical compound with molecular formula C18H25ClN2O2 and molecular weight 336.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[3-oxo-3-(6,7,8,9-tetrahydro-[1]benzofuro[3,2-c]pyridin-8-yl)propyl]azanium chloride
Also Known As: Benzofuro(3,2-c)pyridine, 1,2,3,4-tetrahydro-2-(3-(diethylamino)propionyl)-, hydrochloride, 2-(3-(Dimethylamino)propionyl)-1,2,3,4-tetrahyrobenzofuro(3,2-c)pyridine hydrochloride, diethyl-[3-oxo-3-(6,7,8,9-tetrahydro-[1]benzofuro[3,2-c]pyridin-8-yl)propyl]azanium chloride, RefChem:326490
| Molecular Formula | C18H25ClN2O2 |
|---|---|
| Molecular Weight | 336.16 g/mol |
| LogP | -1.18 |
| Topological Polar Surface Area | 47.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 336.16046 |
| Heavy Atoms | 23 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 54995-94-7 |
|---|---|
| SMILES | CC[NH+](CC)CCC(=O)C1CCC2=C(C1)C3=C(O2)C=CN=C3.[Cl-] |
| InChIKey | QHJWPBSEHTWMAH-UHFFFAOYSA-N |
Product Overview
RefChem:326490 (CAS 54995-94-7), with molecular formula C18H25ClN2O2 and molecular weight 336.16 g/mol. IUPAC: diethyl-[3-oxo-3-(6,7,8,9-tetrahydro-[1]benzofuro[3,2-c]pyridin-8-yl)propyl]azanium chloride.
Chemical Property Profile of RefChem:326490
Property Insights of RefChem:326490
The XLogP value of -1.18 indicates that RefChem:326490 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 47.5 Ų, RefChem:326490 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:326490 has 1 hydrogen bond donor(s) and 4 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:326490?
The CAS number of RefChem:326490 is 54995-94-7.
What is the molecular formula of RefChem:326490?
The molecular formula of RefChem:326490 is C18H25ClN2O2.
What is the molecular weight of RefChem:326490?
The molecular weight of RefChem:326490 is 336.16 g/mol.
Where can I buy RefChem:326490?
You can request a quote for RefChem:326490 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326490?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326490 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.