4-Methylaminorex, (4S,5S)-
TL;DR: 4-Methylaminorex, (4S,5S)- (CAS 3347-31-7) is a chemical compound with molecular formula C10H12N2O and molecular weight 176.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine
Also Known As: 4-Methylaminorex, trans-4-Methylaminorex, (4S,5S)-4-Methylaminorex, 4-Methylaminorex, (4S,5S)-, 4-Methylaminorex, trans-(+/-)-
| Molecular Formula | C10H12N2O |
|---|---|
| Molecular Weight | 176.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.09496 |
| Heavy Atoms | 13 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 3347-31-7 |
|---|---|
| SMILES | C[C@H]1[C@@H](OC(=N1)N)C2=CC=CC=C2 |
| InChIKey | LJQBMYDFWFGESC-IONNQARKSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methylaminorex, (4S,5S)- (CAS 3347-31-7), with molecular formula C10H12N2O and molecular weight 176.09 g/mol. IUPAC: (4S,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine.
Chemical Property Profile of 4-Methylaminorex, (4S,5S)-
Property Insights of 4-Methylaminorex, (4S,5S)-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylaminorex, (4S,5S)-. With a topological polar surface area (TPSA) of 47.6 Ų, 4-Methylaminorex, (4S,5S)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylaminorex, (4S,5S)- has 1 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 4-Methylaminorex, (4S,5S)-?
The CAS number of 4-Methylaminorex, (4S,5S)- is 3347-31-7.
What is the molecular formula of 4-Methylaminorex, (4S,5S)-?
The molecular formula of 4-Methylaminorex, (4S,5S)- is C10H12N2O.
What is the molecular weight of 4-Methylaminorex, (4S,5S)-?
The molecular weight of 4-Methylaminorex, (4S,5S)- is 176.09 g/mol.
Where can I buy 4-Methylaminorex, (4S,5S)-?
You can request a quote for 4-Methylaminorex, (4S,5S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylaminorex, (4S,5S)-?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylaminorex, (4S,5S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.