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3-Phenyltetrahydropyrrolo[1,2-c]oxazol-5(3H)-one
TL;DR: 3-Phenyltetrahydropyrrolo[1,2-c]oxazol-5(3H)-one (CAS 118918-76-6) is a chemical compound with molecular formula C12H13NO2 and molecular weight 203.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
Also Known As: Mdmamot, cis-Oxathiolane, 3-Phenyltetrahydropyrrolo[1,2-c]oxazol-5(3H)-one, KST-1A0386, 3-phenyltetrahydropyrrolo[1,2-c]oxazol-5-one
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 118918-76-6 |
|---|---|
| SMILES | C1CC(=O)N2C1COC2C3=CC=CC=C3 |
| InChIKey | OURKKNDNLSPPQY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenyltetrahydropyrrolo[1,2-c]oxazol-5(3H)-one (CAS 118918-76-6), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: 3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one.
Chemical Property Profile of 3-Phenyltetrahydropyrrolo[1,2-c]oxazol-5(3H)-one
Property Insights of 3-Phenyltetrahydropyrrolo[1,2-c]oxazol-5(3H)-one
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenyltetrahydropyrrolo[1,2-c]oxazol-5(3H)-one. With a topological polar surface area (TPSA) of 29.5 Ų, 3-Phenyltetrahydropyrrolo[1,2-c]oxazol-5(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyltetrahydropyrrolo[1,2-c]oxazol-5(3H)-one has 0 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 3-Phenyltetrahydropyrrolo[1,2-c]oxazol-5(3H)-one?
The CAS number of 3-Phenyltetrahydropyrrolo[1,2-c]oxazol-5(3H)-one is 118918-76-6.
What is the molecular formula of 3-Phenyltetrahydropyrrolo[1,2-c]oxazol-5(3H)-one?
The molecular formula of 3-Phenyltetrahydropyrrolo[1,2-c]oxazol-5(3H)-one is C12H13NO2.
What is the molecular weight of 3-Phenyltetrahydropyrrolo[1,2-c]oxazol-5(3H)-one?
The molecular weight of 3-Phenyltetrahydropyrrolo[1,2-c]oxazol-5(3H)-one is 203.09 g/mol.
Where can I buy 3-Phenyltetrahydropyrrolo[1,2-c]oxazol-5(3H)-one?
You can request a quote for 3-Phenyltetrahydropyrrolo[1,2-c]oxazol-5(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyltetrahydropyrrolo[1,2-c]oxazol-5(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyltetrahydropyrrolo[1,2-c]oxazol-5(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.