RefChem:1053176
TL;DR: RefChem:1053176 (CAS 147017-73-0) is a chemical compound with molecular formula C15H23ClN2O4 and molecular weight 330.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (3E)-N-[2-(dimethylamino)ethoxy]-2,3-dihydro-1,4-benzodioxine-3-carboximidate;hydrochloride
Also Known As: 1,4-Benzodioxin-2-carboximidic acid, 2,3-dihydro-N-(2-(dimethylamino)ethoxy)-, ethyl ester, monohydrochloride, (E)-, RefChem:1053176
| Molecular Formula | C15H23ClN2O4 |
|---|---|
| Molecular Weight | 330.13 g/mol |
| LogP | 2.1764 |
| Topological Polar Surface Area | 52.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 330.13464 |
| Heavy Atoms | 22 |
| Complexity | 482.36517 |
Chemical Identifiers
| CAS Number | 147017-73-0 |
|---|---|
| SMILES | CCO/C(=N/OCCN(C)C)/C1COC2=CC=CC=C2O1.Cl |
Product Overview
RefChem:1053176 (CAS 147017-73-0), with molecular formula C15H23ClN2O4 and molecular weight 330.13 g/mol. IUPAC: ethyl (3E)-N-[2-(dimethylamino)ethoxy]-2,3-dihydro-1,4-benzodioxine-3-carboximidate;hydrochloride.
Chemical Property Profile of RefChem:1053176
Property Insights of RefChem:1053176
The XLogP value of 2.1764 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1053176. With a topological polar surface area (TPSA) of 52.52 Ų, RefChem:1053176 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1053176 has 0 hydrogen bond donor(s) and 6 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:1053176?
The CAS number of RefChem:1053176 is 147017-73-0.
What is the molecular formula of RefChem:1053176?
The molecular formula of RefChem:1053176 is C15H23ClN2O4.
What is the molecular weight of RefChem:1053176?
The molecular weight of RefChem:1053176 is 330.13 g/mol.
Where can I buy RefChem:1053176?
You can request a quote for RefChem:1053176 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1053176?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1053176 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.