3-Hydroxy-2-phenylpropionicacid methylester
TL;DR: 3-Hydroxy-2-phenylpropionicacid methylester (CAS 67466-04-0) is a chemical compound with molecular formula C18H25NO3 and molecular weight 303.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methyl 3-hydroxy-2-phenylpropanoate
Also Known As: 3-Hydroxy-2-phenylpropionicacid methylester, 1-21-00-00201 (Beilstein Handbook Reference), 2-((alpha-(Hydroxymethyl)benzyl)carboxymethyl)-8-methyl-8-azabicyclo(3.2.1)octane, 3-Hydroxy-2-phenylpropionic acid (8-methyl-8-azabicyclo(3.2.1)oct-2-ylmethyl) ester, 8-Azabicyclo(3.2.1)octane, 2-((alpha-(hydroxymethyl)benzyl)carboxymethyl)-8-methyl-
| Molecular Formula | C18H25NO3 |
|---|---|
| Molecular Weight | 303.18 g/mol |
| LogP | 2.1785 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.18344 |
| Heavy Atoms | 22 |
| Complexity | 504.31354 |
Chemical Identifiers
| CAS Number | 67466-04-0 |
|---|---|
| SMILES | CN1C2CCC(C1CC2)COC(=O)C(CO)C3=CC=CC=C3 |
Product Overview
3-Hydroxy-2-phenylpropionicacid methylester (CAS 67466-04-0), with molecular formula C18H25NO3 and molecular weight 303.18 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-2-yl)methyl 3-hydroxy-2-phenylpropanoate.
Chemical Property Profile of 3-Hydroxy-2-phenylpropionicacid methylester
Property Insights of 3-Hydroxy-2-phenylpropionicacid methylester
The XLogP value of 2.1785 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-2-phenylpropionicacid methylester. With a topological polar surface area (TPSA) of 49.77 Ų, 3-Hydroxy-2-phenylpropionicacid methylester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-2-phenylpropionicacid methylester has 1 hydrogen bond donor(s) and 4 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 3-Hydroxy-2-phenylpropionicacid methylester?
The CAS number of 3-Hydroxy-2-phenylpropionicacid methylester is 67466-04-0.
What is the molecular formula of 3-Hydroxy-2-phenylpropionicacid methylester?
The molecular formula of 3-Hydroxy-2-phenylpropionicacid methylester is C18H25NO3.
What is the molecular weight of 3-Hydroxy-2-phenylpropionicacid methylester?
The molecular weight of 3-Hydroxy-2-phenylpropionicacid methylester is 303.18 g/mol.
Where can I buy 3-Hydroxy-2-phenylpropionicacid methylester?
You can request a quote for 3-Hydroxy-2-phenylpropionicacid methylester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-2-phenylpropionicacid methylester?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-2-phenylpropionicacid methylester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.