RefChem:1099320
TL;DR: RefChem:1099320 (CAS 117038-04-7) is a chemical compound with molecular formula C25H31N5O4 and molecular weight 465.2376 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-[2-(diethylamino)ethoxycarbonyl]phenyl]-N'-[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]carbamimidate
Also Known As: N-((p-((2-(Diethylamino)ethoxy)carbonyl)phenyl)carbamoyl)-3-(phenylisopropyl)sidnone imine, Sydnone imine, N-(((4-((2-(diethylamino)ethoxy)carbonyl)phenyl)amino)carbonyl)-3-(1-methyl-2-phenylethyl)-, BRN 5676758
Technical Specifications
| Molecular Formula | C25H31N5O4 |
| Molecular Weight | 465.2376 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 465.2376 Da |
| Heavy Atoms | 34 |
| Complexity | 631.0 |
| SMILES | CCN(CC)CCOC(=O)C1=CC=C(C=C1)N/C(=N/C2=C[N+](=NO2)C(C)CC3=CC=CC=C3)/[O-] |
| InChIKey | QGRHUJSTQLCVOI-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1099320
Property Insights of RefChem:1099320
The XLogP value of 5.5 indicates that RefChem:1099320 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1099320. Following Lipinski's Rule of Five, RefChem:1099320 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1099320?
The CAS number of RefChem:1099320 is 117038-04-7.
What is the molecular formula of RefChem:1099320?
The molecular formula of RefChem:1099320 is C25H31N5O4.
What is the molecular weight of RefChem:1099320?
The molecular weight of RefChem:1099320 is 465.2376 g/mol.
Where can I buy RefChem:1099320?
You can request a quote for RefChem:1099320 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1099320?
Yes, CoreyChem provides custom synthesis services for RefChem:1099320 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.