恶霉灵
TL;DR: 恶霉灵 (CAS 10004-44-1) is a chemical compound with molecular formula C4H5NO2 and molecular weight 99.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
恶霉灵
5-methyl-1,2-oxazol-3-one
Also Known As: Hymexazol, 3-Hydroxy-5-methylisoxazole, Hymexazole, Tachigaren, Hydroxyisoxazole
| Molecular Formula | C4H5NO2 |
|---|---|
| Molecular Weight | 99.03 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 99.03203 |
| Heavy Atoms | 7 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 10004-44-1 |
|---|---|
| SMILES | CC1=CC(=O)NO1 |
| InChIKey | KGVPNLBXJKTABS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
恶霉灵 (CAS 10004-44-1), with molecular formula C4H5NO2 and molecular weight 99.03 g/mol. IUPAC: 5-methyl-1,2-oxazol-3-one.
Chemical Property Profile of 恶霉灵
Property Insights of 恶霉灵
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 恶霉灵. With a topological polar surface area (TPSA) of 38.3 Ų, 恶霉灵 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 恶霉灵 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 恶霉灵?
The CAS number of 恶霉灵 is 10004-44-1.
What is the molecular formula of 恶霉灵?
The molecular formula of 恶霉灵 is C4H5NO2.
What is the molecular weight of 恶霉灵?
The molecular weight of 恶霉灵 is 99.03 g/mol.
Where can I buy 恶霉灵?
You can request a quote for 恶霉灵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 恶霉灵?
Yes, KEHONG BIO provides custom synthesis services for 恶霉灵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.