2-Phenyl-4-carbomethoxy-5-methyl-cis-oxazoline
TL;DR: 2-Phenyl-4-carbomethoxy-5-methyl-cis-oxazoline (CAS 60538-17-2) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4R,5R)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
Also Known As: J3.134.758K, 2-phenyl-4-carbomethoxy-5-methyl-cis-oxazoline, methyl (4R,5R)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate, Methyl (4R,5R)-dihydro-5-methyl-2-phenyl-4-oxazolecarboxylate, (4R,5R)-methyl 5-methyl-2-phenyl-4,5-dihydrooxazole-4-carboxylate
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 60538-17-2 |
|---|---|
| SMILES | C[C@@H]1[C@@H](N=C(O1)C2=CC=CC=C2)C(=O)OC |
| InChIKey | YBKQIWQAEPMIFG-PSASIEDQSA-N |
Product Overview
2-Phenyl-4-carbomethoxy-5-methyl-cis-oxazoline (CAS 60538-17-2), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: methyl (4R,5R)-5-methyl-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate.
Chemical Property Profile of 2-Phenyl-4-carbomethoxy-5-methyl-cis-oxazoline
Property Insights of 2-Phenyl-4-carbomethoxy-5-methyl-cis-oxazoline
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenyl-4-carbomethoxy-5-methyl-cis-oxazoline. With a topological polar surface area (TPSA) of 47.9 Ų, 2-Phenyl-4-carbomethoxy-5-methyl-cis-oxazoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-4-carbomethoxy-5-methyl-cis-oxazoline 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-Phenyl-4-carbomethoxy-5-methyl-cis-oxazoline?
The CAS number of 2-Phenyl-4-carbomethoxy-5-methyl-cis-oxazoline is 60538-17-2.
What is the molecular formula of 2-Phenyl-4-carbomethoxy-5-methyl-cis-oxazoline?
The molecular formula of 2-Phenyl-4-carbomethoxy-5-methyl-cis-oxazoline is C12H13NO3.
What is the molecular weight of 2-Phenyl-4-carbomethoxy-5-methyl-cis-oxazoline?
The molecular weight of 2-Phenyl-4-carbomethoxy-5-methyl-cis-oxazoline is 219.09 g/mol.
Where can I buy 2-Phenyl-4-carbomethoxy-5-methyl-cis-oxazoline?
You can request a quote for 2-Phenyl-4-carbomethoxy-5-methyl-cis-oxazoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenyl-4-carbomethoxy-5-methyl-cis-oxazoline?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-4-carbomethoxy-5-methyl-cis-oxazoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.