RefChem:1065121
TL;DR: RefChem:1065121 (CAS 91119-55-0) is a chemical compound with molecular formula C17H25N3O3 and molecular weight 319.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(E)-N-[2-(diethylamino)ethoxy]-C-methylcarbonimidoyl]-4-methyl-1,4-benzoxazin-3-one
Also Known As: 2H-1,4-Benzoxazin-3(4H)-one, 6-(1-((2-(diethylamino)ethoxy)imino)ethyl)-4-methyl-, 6-(1-((2-(Diethylamino)ethoxy)imino)ethyl)-4-methyl-2H-1,4-benzoxazin-3(4H)-one, RefChem:1065121, BRN 4534442
| Molecular Formula | C17H25N3O3 |
|---|---|
| Molecular Weight | 319.19 g/mol |
| LogP | 2.1242 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 319.1896 |
| Heavy Atoms | 23 |
| Complexity | 582.44635 |
Chemical Identifiers
| CAS Number | 91119-55-0 |
|---|---|
| SMILES | CCN(CC)CCO/N=C(\C)/C1=CC2=C(C=C1)OCC(=O)N2C |
Product Overview
RefChem:1065121 (CAS 91119-55-0), with molecular formula C17H25N3O3 and molecular weight 319.19 g/mol. IUPAC: 6-[(E)-N-[2-(diethylamino)ethoxy]-C-methylcarbonimidoyl]-4-methyl-1,4-benzoxazin-3-one.
Chemical Property Profile of RefChem:1065121
Property Insights of RefChem:1065121
The XLogP value of 2.1242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1065121. With a topological polar surface area (TPSA) of 54.37 Ų, RefChem:1065121 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1065121 has 0 hydrogen bond donor(s) and 5 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:1065121?
The CAS number of RefChem:1065121 is 91119-55-0.
What is the molecular formula of RefChem:1065121?
The molecular formula of RefChem:1065121 is C17H25N3O3.
What is the molecular weight of RefChem:1065121?
The molecular weight of RefChem:1065121 is 319.19 g/mol.
Where can I buy RefChem:1065121?
You can request a quote for RefChem:1065121 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1065121?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1065121 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.