5(4H)-Oxazolone, 4-(ethoxymethylene)-2-(phenylmethyl)-
TL;DR: 5(4H)-Oxazolone, 4-(ethoxymethylene)-2-(phenylmethyl)- (CAS 61369-26-4) is a chemical compound with molecular formula C13H13NO3 and molecular weight 231.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-4-(ethoxymethylidene)-1,3-oxazol-5-one
Also Known As: 2-benzyl-4-(ethoxymethylidene)-1,3-oxazol-5-one, 5(4H)-Oxazolone, 4-(ethoxymethylene)-2-(phenylmethyl)-, 2-benzyl-4-(ethoxymethylidene)-1,3-oxazol-5(4H)-one
| Molecular Formula | C13H13NO3 |
|---|---|
| Molecular Weight | 231.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.08954 |
| Heavy Atoms | 17 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 61369-26-4 |
|---|---|
| SMILES | CCOC=C1C(=O)OC(=N1)CC2=CC=CC=C2 |
| InChIKey | KDXYERQLMHLLJT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5(4H)-Oxazolone, 4-(ethoxymethylene)-2-(phenylmethyl)- (CAS 61369-26-4), with molecular formula C13H13NO3 and molecular weight 231.09 g/mol. IUPAC: 2-benzyl-4-(ethoxymethylidene)-1,3-oxazol-5-one.
Chemical Property Profile of 5(4H)-Oxazolone, 4-(ethoxymethylene)-2-(phenylmethyl)-
Property Insights of 5(4H)-Oxazolone, 4-(ethoxymethylene)-2-(phenylmethyl)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5(4H)-Oxazolone, 4-(ethoxymethylene)-2-(phenylmethyl)-. With a topological polar surface area (TPSA) of 47.9 Ų, 5(4H)-Oxazolone, 4-(ethoxymethylene)-2-(phenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5(4H)-Oxazolone, 4-(ethoxymethylene)-2-(phenylmethyl)- 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 5(4H)-Oxazolone, 4-(ethoxymethylene)-2-(phenylmethyl)-?
The CAS number of 5(4H)-Oxazolone, 4-(ethoxymethylene)-2-(phenylmethyl)- is 61369-26-4.
What is the molecular formula of 5(4H)-Oxazolone, 4-(ethoxymethylene)-2-(phenylmethyl)-?
The molecular formula of 5(4H)-Oxazolone, 4-(ethoxymethylene)-2-(phenylmethyl)- is C13H13NO3.
What is the molecular weight of 5(4H)-Oxazolone, 4-(ethoxymethylene)-2-(phenylmethyl)-?
The molecular weight of 5(4H)-Oxazolone, 4-(ethoxymethylene)-2-(phenylmethyl)- is 231.09 g/mol.
Where can I buy 5(4H)-Oxazolone, 4-(ethoxymethylene)-2-(phenylmethyl)-?
You can request a quote for 5(4H)-Oxazolone, 4-(ethoxymethylene)-2-(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5(4H)-Oxazolone, 4-(ethoxymethylene)-2-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 5(4H)-Oxazolone, 4-(ethoxymethylene)-2-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.