PRL-8-53
TL;DR: PRL-8-53 (CAS 51352-87-5) is a chemical compound with molecular formula C18H22ClNO2 and molecular weight 319.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
PRL-8-53
benzyl-[2-(3-methoxycarbonylphenyl)ethyl]-methylazanium chloride
Also Known As: Prl-8-53, Methyl 3-(2-(benzylmethylamino)ethyl)benzoate hydrochloride, benzyl-[2-(3-methoxycarbonylphenyl)ethyl]-methylazanium;chloride, 3-(2-(Methyl(phenylmethyl)amino)ethyl)benzoic acid methyl ester hydrochloride, BENZYL-[2-(3-METHOXYCARBONYLPHENYL)ETHYL]-METHYL-AZANIUM CHLORIDE
| Molecular Formula | C18H22ClNO2 |
|---|---|
| Molecular Weight | 319.13 g/mol |
| LogP | -1.27 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 319.1339 |
| Heavy Atoms | 22 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 51352-87-5 |
|---|---|
| SMILES | C[NH+](CCC1=CC(=CC=C1)C(=O)OC)CC2=CC=CC=C2.[Cl-] |
| InChIKey | HLBBSWSJLPLPRU-UHFFFAOYSA-N |
Product Overview
PRL-8-53 (CAS 51352-87-5), with molecular formula C18H22ClNO2 and molecular weight 319.13 g/mol. IUPAC: benzyl-[2-(3-methoxycarbonylphenyl)ethyl]-methylazanium chloride.
Chemical Property Profile of PRL-8-53
Property Insights of PRL-8-53
The XLogP value of -1.27 indicates that PRL-8-53 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, PRL-8-53 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, PRL-8-53 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 PRL-8-53?
The CAS number of PRL-8-53 is 51352-87-5.
What is the molecular formula of PRL-8-53?
The molecular formula of PRL-8-53 is C18H22ClNO2.
What is the molecular weight of PRL-8-53?
The molecular weight of PRL-8-53 is 319.13 g/mol.
Where can I buy PRL-8-53?
You can request a quote for PRL-8-53 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PRL-8-53?
Yes, KEHONG BIO provides custom synthesis services for PRL-8-53 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.