Pseudomerucathine
TL;DR: Pseudomerucathine (CAS 96861-89-1) is a chemical compound with molecular formula C11H15NO and molecular weight 177.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E,3S,4S)-4-amino-1-phenylpent-1-en-3-ol
Also Known As: Pseudomerucathine, Merucathine, (-)-Pseudomerucathine, (E,3S,4S)-4-amino-1-phenylpent-1-en-3-ol, (1E,3S,4S)-4-amino-1-phenylpent-1-en-3-ol
| Molecular Formula | C11H15NO |
|---|---|
| Molecular Weight | 177.12 g/mol |
| LogP | 1.4079 |
| Topological Polar Surface Area | 46.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.11537 |
| Heavy Atoms | 13 |
| Complexity | 266.6786 |
Chemical Identifiers
| CAS Number | 96861-89-1 |
|---|---|
| SMILES | C[C@@H]([C@H](/C=C/C1=CC=CC=C1)O)N |
Product Overview
Pseudomerucathine (CAS 96861-89-1), with molecular formula C11H15NO and molecular weight 177.12 g/mol. IUPAC: (E,3S,4S)-4-amino-1-phenylpent-1-en-3-ol.
Chemical Property Profile of Pseudomerucathine
Property Insights of Pseudomerucathine
The XLogP value of 1.4079 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pseudomerucathine. With a topological polar surface area (TPSA) of 46.25 Ų, Pseudomerucathine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pseudomerucathine has 2 hydrogen bond donor(s) and 2 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 Pseudomerucathine?
The CAS number of Pseudomerucathine is 96861-89-1.
What is the molecular formula of Pseudomerucathine?
The molecular formula of Pseudomerucathine is C11H15NO.
What is the molecular weight of Pseudomerucathine?
The molecular weight of Pseudomerucathine is 177.12 g/mol.
Where can I buy Pseudomerucathine?
You can request a quote for Pseudomerucathine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudomerucathine?
Yes, KEHONG BIO provides custom synthesis services for Pseudomerucathine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.