RefChem:1079587
TL;DR: RefChem:1079587 (CAS 33448-28-1) is a chemical compound with molecular formula C18H22ClNO2 and molecular weight 319.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dihydro-1H-phenalen-2-yl-(3-methoxy-3-oxopropyl)-methylazanium chloride
Also Known As: beta-Alanine, N-(2,3-dihydrophenalen-2-yl)-N-methyl-, methyl ester, hydrochloride, N-(2,3-Dihydrophenalen-2-yl)-N-methyl-beta-alanine methyl ester hydrochloride, Chlorhydrate beta-N-methyl-N-(dihydro-2,3 phenalene)-2 amino propionate de methyl [French], Chlorhydrate beta-N-methyl-N-(dihydro-2,3 phenalene)-2 amino propionate de methyl, 2,3-dihydro-1H-phenalen-2-yl-(3-methoxy-3-oxopropyl)-methylazanium chloride
| Molecular Formula | C18H22ClNO2 |
|---|---|
| Molecular Weight | 319.13 g/mol |
| LogP | -1.61 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.1339 |
| Heavy Atoms | 22 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 33448-28-1 |
|---|---|
| SMILES | C[NH+](CCC(=O)OC)C1CC2=CC=CC3=C2C(=CC=C3)C1.[Cl-] |
| InChIKey | ZGPHSADVJZKNJH-UHFFFAOYSA-N |
Product Overview
RefChem:1079587 (CAS 33448-28-1), with molecular formula C18H22ClNO2 and molecular weight 319.13 g/mol. IUPAC: 2,3-dihydro-1H-phenalen-2-yl-(3-methoxy-3-oxopropyl)-methylazanium chloride.
Chemical Property Profile of RefChem:1079587
Property Insights of RefChem:1079587
The XLogP value of -1.61 indicates that RefChem:1079587 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, RefChem:1079587 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1079587 has 1 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:1079587?
The CAS number of RefChem:1079587 is 33448-28-1.
What is the molecular formula of RefChem:1079587?
The molecular formula of RefChem:1079587 is C18H22ClNO2.
What is the molecular weight of RefChem:1079587?
The molecular weight of RefChem:1079587 is 319.13 g/mol.
Where can I buy RefChem:1079587?
You can request a quote for RefChem:1079587 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1079587?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1079587 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.