RefChem:241511
TL;DR: RefChem:241511 (CAS 100037-06-7) is a chemical compound with molecular formula C20H21IN4O3 and molecular weight 492.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[4-(4,5-dihydro-1H-imidazol-1-ium-2-ylamino)phenyl]-3-oxopropyl]-6-methyl-1,3-benzoxazol-2-one iodide
Also Known As: 2-Benzoxazolinone, 3-(2-(p-(2-imidazolin-2-ylamino)benzoyl)ethyl)-6-methyl-, monohydriodide, 3-(2-(p-(2-Imidazolin-2-ylamino)benzoyl)ethyl)-6-methyl-2-benzoxazolinone hydriodide, 2(3H)-Benzoxazolone, 3-(3-(4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)-3-oxopropyl)-6-methyl-, monohydriodide, 3-[3-[4-(4,5-dihydro-1H-imidazol-1-ium-2-ylamino)phenyl]-3-oxopropyl]-6-methyl-1,3-benzoxazol-2-one iodide, 2-({4-[3-(6-methyl-2-oxo-1,3-benzoxazol-3(2h)-yl)propanoyl]phenyl}amino)-4,5-dihydro-1h-imidazol-1-ium iodide
| Molecular Formula | C20H21IN4O3 |
|---|---|
| Molecular Weight | 492.07 g/mol |
| LogP | -1.48 |
| Topological Polar Surface Area | 87.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 492.06583 |
| Heavy Atoms | 28 |
| Complexity | 600.0 |
Chemical Identifiers
| CAS Number | 100037-06-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C(=O)O2)CCC(=O)C3=CC=C(C=C3)NC4=NCC[NH2+]4.[I-] |
| InChIKey | QOXXFQDCNVISMD-UHFFFAOYSA-N |
Product Overview
RefChem:241511 (CAS 100037-06-7), with molecular formula C20H21IN4O3 and molecular weight 492.07 g/mol. IUPAC: 3-[3-[4-(4,5-dihydro-1H-imidazol-1-ium-2-ylamino)phenyl]-3-oxopropyl]-6-methyl-1,3-benzoxazol-2-one iodide.
Chemical Property Profile of RefChem:241511
Property Insights of RefChem:241511
The XLogP value of -1.48 indicates that RefChem:241511 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:241511. Following Lipinski's Rule of Five, RefChem:241511 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:241511?
The CAS number of RefChem:241511 is 100037-06-7.
What is the molecular formula of RefChem:241511?
The molecular formula of RefChem:241511 is C20H21IN4O3.
What is the molecular weight of RefChem:241511?
The molecular weight of RefChem:241511 is 492.07 g/mol.
Where can I buy RefChem:241511?
You can request a quote for RefChem:241511 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:241511?
Yes, KEHONG BIO provides custom synthesis services for RefChem:241511 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.