RefChem:234982
TL;DR: RefChem:234982 (CAS 100037-20-5) is a chemical compound with molecular formula C16H25IN4O3 and molecular weight 448.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[bis(2-hydroxyethyl)amino]-1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydroiodide
Also Known As: 1-Propanone, 3-(bis(2-hydroxyethyl)amino)-1-(4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)-,monohydriodide, 3-(Bis(2-hydroxyethyl)amino)-4'-(2-imidazolin-2-ylamino)propiopheonone hydriodide, Propiophenone, 3-(bis(2-hydroxyethyl)amino)-4'-(2-imidazolin-2-ylamino)-, monohydriodide, 3-[bis(2-hydroxyethyl)amino]-1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one hydroiodide, 3-[Bis(2-hydroxyethyl)amino]-1-{4-[(4,5-dihydro-1H-imidazol-2-yl)amino]phenyl}propan-1-one--hydrogen iodide (1/1)
| Molecular Formula | C16H25IN4O3 |
|---|---|
| Molecular Weight | 448.10 g/mol |
| LogP | 0.5351 |
| Topological Polar Surface Area | 97.19 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 448.09714 |
| Heavy Atoms | 24 |
| Complexity | 530.62897 |
Chemical Identifiers
| CAS Number | 100037-20-5 |
|---|---|
| SMILES | C1CN=C(N1)NC2=CC=C(C=C2)C(=O)CCN(CCO)CCO.I |
Product Overview
RefChem:234982 (CAS 100037-20-5), with molecular formula C16H25IN4O3 and molecular weight 448.10 g/mol. IUPAC: 3-[bis(2-hydroxyethyl)amino]-1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydroiodide.
Chemical Property Profile of RefChem:234982
Property Insights of RefChem:234982
The XLogP value of 0.5351 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:234982. The TPSA of 97.19 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:234982. Following Lipinski's Rule of Five, RefChem:234982 has 4 hydrogen bond donor(s) and 7 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:234982?
The CAS number of RefChem:234982 is 100037-20-5.
What is the molecular formula of RefChem:234982?
The molecular formula of RefChem:234982 is C16H25IN4O3.
What is the molecular weight of RefChem:234982?
The molecular weight of RefChem:234982 is 448.10 g/mol.
Where can I buy RefChem:234982?
You can request a quote for RefChem:234982 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:234982?
Yes, KEHONG BIO provides custom synthesis services for RefChem:234982 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.