3,3-Dimethyl-2-oxiranecarboxamide
TL;DR: 3,3-Dimethyl-2-oxiranecarboxamide (CAS 4417-89-4) is a chemical compound with molecular formula C5H9NO2 and molecular weight 115.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyloxirane-2-carboxamide
Also Known As: Dimethylepoxypropionamide, 2,3-Epoxy-3-methylbutyramide, Dimethylepoxypropionamide [French], 3,3-dimethyloxirane-2-carboxamide, Oxiranecarboxamide, 3,3-dimethyl-
| Molecular Formula | C5H9NO2 |
|---|---|
| Molecular Weight | 115.06 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 55.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 115.06333 |
| Heavy Atoms | 8 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 4417-89-4 |
|---|---|
| SMILES | CC1(C(O1)C(=O)N)C |
| InChIKey | VHQRLFJQBSEHIY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-Dimethyl-2-oxiranecarboxamide (CAS 4417-89-4), with molecular formula C5H9NO2 and molecular weight 115.06 g/mol. IUPAC: 3,3-dimethyloxirane-2-carboxamide.
Chemical Property Profile of 3,3-Dimethyl-2-oxiranecarboxamide
Property Insights of 3,3-Dimethyl-2-oxiranecarboxamide
The XLogP value of -0.6 indicates that 3,3-Dimethyl-2-oxiranecarboxamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.6 Ų, 3,3-Dimethyl-2-oxiranecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethyl-2-oxiranecarboxamide has 1 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 3,3-Dimethyl-2-oxiranecarboxamide?
The CAS number of 3,3-Dimethyl-2-oxiranecarboxamide is 4417-89-4.
What is the molecular formula of 3,3-Dimethyl-2-oxiranecarboxamide?
The molecular formula of 3,3-Dimethyl-2-oxiranecarboxamide is C5H9NO2.
What is the molecular weight of 3,3-Dimethyl-2-oxiranecarboxamide?
The molecular weight of 3,3-Dimethyl-2-oxiranecarboxamide is 115.06 g/mol.
Where can I buy 3,3-Dimethyl-2-oxiranecarboxamide?
You can request a quote for 3,3-Dimethyl-2-oxiranecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethyl-2-oxiranecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethyl-2-oxiranecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.