(2-Methyl-3-phenyltetrahydro-5-isoxazolyl)methyl 4-chlorobenzenecarboxylate
TL;DR: (2-Methyl-3-phenyltetrahydro-5-isoxazolyl)methyl 4-chlorobenzenecarboxylate (CAS 338406-55-6) is a chemical compound with molecular formula C18H18ClNO3 and molecular weight 331.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl 4-chlorobenzoate
Also Known As: (2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl 4-chlorobenzoate, (2-methyl-3-phenyltetrahydro-5-isoxazolyl)methyl 4-chlorobenzenecarboxylate
| Molecular Formula | C18H18ClNO3 |
|---|---|
| Molecular Weight | 331.10 g/mol |
| LogP | 3.8738 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.09753 |
| Heavy Atoms | 23 |
| Complexity | 659.72675 |
Chemical Identifiers
| CAS Number | 338406-55-6 |
|---|---|
| SMILES | CN1C(CC(O1)COC(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3 |
Product Overview
(2-Methyl-3-phenyltetrahydro-5-isoxazolyl)methyl 4-chlorobenzenecarboxylate (CAS 338406-55-6), with molecular formula C18H18ClNO3 and molecular weight 331.10 g/mol. IUPAC: (2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl 4-chlorobenzoate.
Chemical Property Profile of (2-Methyl-3-phenyltetrahydro-5-isoxazolyl)methyl 4-chlorobenzenecarboxylate
Property Insights of (2-Methyl-3-phenyltetrahydro-5-isoxazolyl)methyl 4-chlorobenzenecarboxylate
The XLogP value of 3.8738 indicates that (2-Methyl-3-phenyltetrahydro-5-isoxazolyl)methyl 4-chlorobenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, (2-Methyl-3-phenyltetrahydro-5-isoxazolyl)methyl 4-chlorobenzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Methyl-3-phenyltetrahydro-5-isoxazolyl)methyl 4-chlorobenzenecarboxylate has 0 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 (2-Methyl-3-phenyltetrahydro-5-isoxazolyl)methyl 4-chlorobenzenecarboxylate?
The CAS number of (2-Methyl-3-phenyltetrahydro-5-isoxazolyl)methyl 4-chlorobenzenecarboxylate is 338406-55-6.
What is the molecular formula of (2-Methyl-3-phenyltetrahydro-5-isoxazolyl)methyl 4-chlorobenzenecarboxylate?
The molecular formula of (2-Methyl-3-phenyltetrahydro-5-isoxazolyl)methyl 4-chlorobenzenecarboxylate is C18H18ClNO3.
What is the molecular weight of (2-Methyl-3-phenyltetrahydro-5-isoxazolyl)methyl 4-chlorobenzenecarboxylate?
The molecular weight of (2-Methyl-3-phenyltetrahydro-5-isoxazolyl)methyl 4-chlorobenzenecarboxylate is 331.10 g/mol.
Where can I buy (2-Methyl-3-phenyltetrahydro-5-isoxazolyl)methyl 4-chlorobenzenecarboxylate?
You can request a quote for (2-Methyl-3-phenyltetrahydro-5-isoxazolyl)methyl 4-chlorobenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Methyl-3-phenyltetrahydro-5-isoxazolyl)methyl 4-chlorobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for (2-Methyl-3-phenyltetrahydro-5-isoxazolyl)methyl 4-chlorobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.