![rel-Methyl 4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate structure](/static/products/7795/77955-41-0.webp)
rel-Methyl 4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate
TL;DR: rel-Methyl 4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate (CAS 77955-41-0) is a chemical compound with molecular formula C19H23NO3 and molecular weight 313.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(2S)-2-[[(2S)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate
Also Known As: Methyl 4-[2-[(2-hydroxy-2-phenyl-ethyl)amino]propyl]benzoate, rel-Methyl 4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate, methyl 4-[(2S)-2-[[(2S)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate, methyl 4-[(2S)-2-{[(2S)-2-hydroxy-2-phenylethyl]amino}propyl]benzoate, 4-[(S)-2-[[(S)-2-Hydroxy-2-phenylethyl]amino]propyl]benzoic acid methyl ester
| Molecular Formula | C19H23NO3 |
|---|---|
| Molecular Weight | 313.17 g/mol |
| LogP | 2.7274 |
| Topological Polar Surface Area | 58.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 313.1678 |
| Heavy Atoms | 23 |
| Complexity | 610.27167 |
Chemical Identifiers
| CAS Number | 77955-41-0 |
|---|---|
| SMILES | C[C@@H](CC1=CC=C(C=C1)C(=O)OC)NC[C@H](C2=CC=CC=C2)O |
Product Overview
rel-Methyl 4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate (CAS 77955-41-0), with molecular formula C19H23NO3 and molecular weight 313.17 g/mol. IUPAC: methyl 4-[(2S)-2-[[(2S)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate.
Chemical Property Profile of rel-Methyl 4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate
Property Insights of rel-Methyl 4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate
The XLogP value of 2.7274 suggests moderate lipophilicity, balancing water solubility and membrane permeability for rel-Methyl 4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate. With a topological polar surface area (TPSA) of 58.56 Ų, rel-Methyl 4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, rel-Methyl 4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate has 2 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 rel-Methyl 4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate?
The CAS number of rel-Methyl 4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate is 77955-41-0.
What is the molecular formula of rel-Methyl 4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate?
The molecular formula of rel-Methyl 4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate is C19H23NO3.
What is the molecular weight of rel-Methyl 4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate?
The molecular weight of rel-Methyl 4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate is 313.17 g/mol.
Where can I buy rel-Methyl 4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate?
You can request a quote for rel-Methyl 4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rel-Methyl 4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for rel-Methyl 4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.