RefChem:1096648
TL;DR: RefChem:1096648 (CAS 7036-57-9) is a chemical compound with molecular formula C15H17ClN2O2 and molecular weight 292.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 3-(1-phenylethyl)imidazole-4-carboxylate;hydrochloride
Also Known As: DL-1-(1-Phenethyl)imidazole-5-carboxylic acid allyl ester hydrochloride, Imidazole-5-carboxylic acid, 1-(alpha-methylbenzyl)-, allyl ester, hydrochloride, DL-, Prop-2-en-1-yl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate--hydrogen chloride (1/1), prop-2-enyl 3-(1-phenylethyl)imidazole-4-carboxylate hydrochloride, Imidazole-5-carboxylic acid, 1-(.alpha.-methylbenzyl)-, allyl ester, monohydrochloride, (.+.)-
| Molecular Formula | C15H17ClN2O2 |
|---|---|
| Molecular Weight | 292.10 g/mol |
| LogP | 3.257 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 292.09787 |
| Heavy Atoms | 20 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 7036-57-9 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)N2C=NC=C2C(=O)OCC=C.Cl |
| InChIKey | LJOJIRGEDYNJJT-UHFFFAOYSA-N |
Product Overview
RefChem:1096648 (CAS 7036-57-9), with molecular formula C15H17ClN2O2 and molecular weight 292.10 g/mol. IUPAC: prop-2-enyl 3-(1-phenylethyl)imidazole-4-carboxylate;hydrochloride.
Chemical Property Profile of RefChem:1096648
Property Insights of RefChem:1096648
The XLogP value of 3.257 indicates that RefChem:1096648 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, RefChem:1096648 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1096648 has 1 hydrogen bond donor(s) and 3 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:1096648?
The CAS number of RefChem:1096648 is 7036-57-9.
What is the molecular formula of RefChem:1096648?
The molecular formula of RefChem:1096648 is C15H17ClN2O2.
What is the molecular weight of RefChem:1096648?
The molecular weight of RefChem:1096648 is 292.10 g/mol.
Where can I buy RefChem:1096648?
You can request a quote for RefChem:1096648 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1096648?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1096648 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.