2-Benzyl-4,4-dimethyl-1,5,2-dioxazinane-3,6-dione
TL;DR: 2-Benzyl-4,4-dimethyl-1,5,2-dioxazinane-3,6-dione (CAS 77308-01-1) is a chemical compound with molecular formula C12H13NO4 and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-4,4-dimethyl-1,5,2-dioxazinane-3,6-dione
Also Known As: 2-benzyl-4,4-dimethyl-1,5,2-dioxazinane-3,6-dione
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.08446 |
| Heavy Atoms | 17 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 77308-01-1 |
|---|---|
| SMILES | CC1(C(=O)N(OC(=O)O1)CC2=CC=CC=C2)C |
| InChIKey | ZTDNQDBYPLETRF-UHFFFAOYSA-N |
Product Overview
2-Benzyl-4,4-dimethyl-1,5,2-dioxazinane-3,6-dione (CAS 77308-01-1), with molecular formula C12H13NO4 and molecular weight 235.08 g/mol. IUPAC: 2-benzyl-4,4-dimethyl-1,5,2-dioxazinane-3,6-dione.
Chemical Property Profile of 2-Benzyl-4,4-dimethyl-1,5,2-dioxazinane-3,6-dione
Property Insights of 2-Benzyl-4,4-dimethyl-1,5,2-dioxazinane-3,6-dione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzyl-4,4-dimethyl-1,5,2-dioxazinane-3,6-dione. With a topological polar surface area (TPSA) of 55.8 Ų, 2-Benzyl-4,4-dimethyl-1,5,2-dioxazinane-3,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyl-4,4-dimethyl-1,5,2-dioxazinane-3,6-dione 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 2-Benzyl-4,4-dimethyl-1,5,2-dioxazinane-3,6-dione?
The CAS number of 2-Benzyl-4,4-dimethyl-1,5,2-dioxazinane-3,6-dione is 77308-01-1.
What is the molecular formula of 2-Benzyl-4,4-dimethyl-1,5,2-dioxazinane-3,6-dione?
The molecular formula of 2-Benzyl-4,4-dimethyl-1,5,2-dioxazinane-3,6-dione is C12H13NO4.
What is the molecular weight of 2-Benzyl-4,4-dimethyl-1,5,2-dioxazinane-3,6-dione?
The molecular weight of 2-Benzyl-4,4-dimethyl-1,5,2-dioxazinane-3,6-dione is 235.08 g/mol.
Where can I buy 2-Benzyl-4,4-dimethyl-1,5,2-dioxazinane-3,6-dione?
You can request a quote for 2-Benzyl-4,4-dimethyl-1,5,2-dioxazinane-3,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzyl-4,4-dimethyl-1,5,2-dioxazinane-3,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-4,4-dimethyl-1,5,2-dioxazinane-3,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.