RefChem:1053175
TL;DR: RefChem:1053175 (CAS 147017-74-1) is a chemical compound with molecular formula C17H27ClN2O4 and molecular weight 358.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (3E)-N-[2-(diethylamino)ethoxy]-2,3-dihydro-1,4-benzodioxine-3-carboximidate;hydrochloride
Also Known As: 1,4-Benzodioxin-2-carboximidic acid, 2,3-dihydro-N-(2-(diethylamino)ethoxy)-, ethyl ester, monohydrochloride, (E)-, RefChem:1053175
| Molecular Formula | C17H27ClN2O4 |
|---|---|
| Molecular Weight | 358.17 g/mol |
| LogP | 2.9566 |
| Topological Polar Surface Area | 52.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 358.16592 |
| Heavy Atoms | 24 |
| Complexity | 509.11884 |
Chemical Identifiers
| CAS Number | 147017-74-1 |
|---|---|
| SMILES | CCN(CC)CCO/N=C(\C1COC2=CC=CC=C2O1)/OCC.Cl |
Product Overview
RefChem:1053175 (CAS 147017-74-1), with molecular formula C17H27ClN2O4 and molecular weight 358.17 g/mol. IUPAC: ethyl (3E)-N-[2-(diethylamino)ethoxy]-2,3-dihydro-1,4-benzodioxine-3-carboximidate;hydrochloride.
Chemical Property Profile of RefChem:1053175
Property Insights of RefChem:1053175
The XLogP value of 2.9566 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1053175. With a topological polar surface area (TPSA) of 52.52 Ų, RefChem:1053175 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1053175 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:1053175?
The CAS number of RefChem:1053175 is 147017-74-1.
What is the molecular formula of RefChem:1053175?
The molecular formula of RefChem:1053175 is C17H27ClN2O4.
What is the molecular weight of RefChem:1053175?
The molecular weight of RefChem:1053175 is 358.17 g/mol.
Where can I buy RefChem:1053175?
You can request a quote for RefChem:1053175 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1053175?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1053175 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.