4-Chloromethyl-2H-1,3-oxazine-3H-2,6-dione
TL;DR: 4-Chloromethyl-2H-1,3-oxazine-3H-2,6-dione (CAS 59416-56-7) is a chemical compound with molecular formula C5H4ClNO3 and molecular weight 160.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(chloromethyl)-3H-1,3-oxazine-2,6-dione
Also Known As: 4-chloromethyl-3H-[1,3]oxazine-2,6-dione, 4-Chloromethyl-2H-1,3-oxazine-3H-2,6-dione, 4-(chloromethyl)-3H-1,3-oxazine-2,6-dione, 4-(Chloromethyl)-2H-1,3-oxazine-2,6(3H)-dione, 4-(Chloromethyl)-2H-1,3-oxazine-2,6(3H)-dione #
| Molecular Formula | C5H4ClNO3 |
|---|---|
| Molecular Weight | 160.99 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 160.98798 |
| Heavy Atoms | 10 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 59416-56-7 |
|---|---|
| SMILES | C1=C(NC(=O)OC1=O)CCl |
| InChIKey | ITEJKQYPCWSCNH-UHFFFAOYSA-N |
Product Overview
4-Chloromethyl-2H-1,3-oxazine-3H-2,6-dione (CAS 59416-56-7), with molecular formula C5H4ClNO3 and molecular weight 160.99 g/mol. IUPAC: 4-(chloromethyl)-3H-1,3-oxazine-2,6-dione.
Chemical Property Profile of 4-Chloromethyl-2H-1,3-oxazine-3H-2,6-dione
Property Insights of 4-Chloromethyl-2H-1,3-oxazine-3H-2,6-dione
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloromethyl-2H-1,3-oxazine-3H-2,6-dione. With a topological polar surface area (TPSA) of 55.4 Ų, 4-Chloromethyl-2H-1,3-oxazine-3H-2,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloromethyl-2H-1,3-oxazine-3H-2,6-dione has 1 hydrogen bond donor(s) and 3 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 4-Chloromethyl-2H-1,3-oxazine-3H-2,6-dione?
The CAS number of 4-Chloromethyl-2H-1,3-oxazine-3H-2,6-dione is 59416-56-7.
What is the molecular formula of 4-Chloromethyl-2H-1,3-oxazine-3H-2,6-dione?
The molecular formula of 4-Chloromethyl-2H-1,3-oxazine-3H-2,6-dione is C5H4ClNO3.
What is the molecular weight of 4-Chloromethyl-2H-1,3-oxazine-3H-2,6-dione?
The molecular weight of 4-Chloromethyl-2H-1,3-oxazine-3H-2,6-dione is 160.99 g/mol.
Where can I buy 4-Chloromethyl-2H-1,3-oxazine-3H-2,6-dione?
You can request a quote for 4-Chloromethyl-2H-1,3-oxazine-3H-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloromethyl-2H-1,3-oxazine-3H-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloromethyl-2H-1,3-oxazine-3H-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.