(4S,5S)-(-)-2-Methyl-5-phenyl-2-oxazoline-4-methanol
TL;DR: (4S,5S)-(-)-2-Methyl-5-phenyl-2-oxazoline-4-methanol (CAS 53976-16-2) is a chemical compound with molecular formula C11H13NO2 and molecular weight 191.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4S,5S)-2-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
Also Known As: (4S,5S)-(-)-2-Methyl-5-phenyl-2-oxazoline-4-methanol, EINECS 258-730-2, (4S,5s)-2-methyl-5-phenyl-2-oxazoline-4-methanol, (4S,5S)-4,5-Dihydro-2-methyl-5-phenyl-4-oxazolemethanol, - -2-METHYL-5-PHENYL-2-OXAZOLINE-4-METHANOL
| Molecular Formula | C11H13NO2 |
|---|---|
| Molecular Weight | 191.09 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 41.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.09464 |
| Heavy Atoms | 14 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 53976-16-2 |
|---|---|
| SMILES | CC1=N[C@H]([C@@H](O1)C2=CC=CC=C2)CO |
| InChIKey | NTCJMVHDZUBYNA-QWRGUYRKSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4S,5S)-(-)-2-Methyl-5-phenyl-2-oxazoline-4-methanol (CAS 53976-16-2), with molecular formula C11H13NO2 and molecular weight 191.09 g/mol. IUPAC: [(4S,5S)-2-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol.
Chemical Property Profile of (4S,5S)-(-)-2-Methyl-5-phenyl-2-oxazoline-4-methanol
Property Insights of (4S,5S)-(-)-2-Methyl-5-phenyl-2-oxazoline-4-methanol
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4S,5S)-(-)-2-Methyl-5-phenyl-2-oxazoline-4-methanol. With a topological polar surface area (TPSA) of 41.8 Ų, (4S,5S)-(-)-2-Methyl-5-phenyl-2-oxazoline-4-methanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4S,5S)-(-)-2-Methyl-5-phenyl-2-oxazoline-4-methanol 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 (4S,5S)-(-)-2-Methyl-5-phenyl-2-oxazoline-4-methanol?
The CAS number of (4S,5S)-(-)-2-Methyl-5-phenyl-2-oxazoline-4-methanol is 53976-16-2.
What is the molecular formula of (4S,5S)-(-)-2-Methyl-5-phenyl-2-oxazoline-4-methanol?
The molecular formula of (4S,5S)-(-)-2-Methyl-5-phenyl-2-oxazoline-4-methanol is C11H13NO2.
What is the molecular weight of (4S,5S)-(-)-2-Methyl-5-phenyl-2-oxazoline-4-methanol?
The molecular weight of (4S,5S)-(-)-2-Methyl-5-phenyl-2-oxazoline-4-methanol is 191.09 g/mol.
Where can I buy (4S,5S)-(-)-2-Methyl-5-phenyl-2-oxazoline-4-methanol?
You can request a quote for (4S,5S)-(-)-2-Methyl-5-phenyl-2-oxazoline-4-methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4S,5S)-(-)-2-Methyl-5-phenyl-2-oxazoline-4-methanol?
Yes, KEHONG BIO provides custom synthesis services for (4S,5S)-(-)-2-Methyl-5-phenyl-2-oxazoline-4-methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.