RefChem:234994
TL;DR: RefChem:234994 (CAS 100037-02-3) is a chemical compound with molecular formula C16H25IN4O and molecular weight 416.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(diethylamino)-1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydroiodide
Also Known As: 1-Propanone, 3-(diethylamino)-1-(4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)-, monohydriodide, 3-(Diethylamino)-4'-(2-imidazolin-2-ylamino)propiophenone hydriodide, Propiophenone, 3-(diethylamino)-4'-(2-imidazolin-2-ylamino)-, monohydriodide, 3-(diethylamino)-1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one hydroiodide, 3-(diethylamino)-1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one,hydroiodide
| Molecular Formula | C16H25IN4O |
|---|---|
| Molecular Weight | 416.11 g/mol |
| LogP | 2.5903 |
| Topological Polar Surface Area | 56.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.1073 |
| Heavy Atoms | 22 |
| Complexity | 497.3722 |
Chemical Identifiers
| CAS Number | 100037-02-3 |
|---|---|
| SMILES | CCN(CC)CCC(=O)C1=CC=C(C=C1)NC2=NCCN2.I |
Product Overview
RefChem:234994 (CAS 100037-02-3), with molecular formula C16H25IN4O and molecular weight 416.11 g/mol. IUPAC: 3-(diethylamino)-1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydroiodide.
Chemical Property Profile of RefChem:234994
Property Insights of RefChem:234994
The XLogP value of 2.5903 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:234994. With a topological polar surface area (TPSA) of 56.73 Ų, RefChem:234994 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:234994 has 2 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:234994?
The CAS number of RefChem:234994 is 100037-02-3.
What is the molecular formula of RefChem:234994?
The molecular formula of RefChem:234994 is C16H25IN4O.
What is the molecular weight of RefChem:234994?
The molecular weight of RefChem:234994 is 416.11 g/mol.
Where can I buy RefChem:234994?
You can request a quote for RefChem:234994 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:234994?
Yes, KEHONG BIO provides custom synthesis services for RefChem:234994 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.