2H-1,3-Oxazine-2,4(3H)-dione, dihydro-5,5-dibutyl-
TL;DR: 2H-1,3-Oxazine-2,4(3H)-dione, dihydro-5,5-dibutyl- (CAS 100453-54-1) is a chemical compound with molecular formula C12H21NO3 and molecular weight 227.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dibutyl-1,3-oxazinane-2,4-dione
Also Known As: 5,5-dibutyl-1,3-oxazinane-2,4-dione, 2H-1,3-Oxazine-2,4(3H)-dione, dihydro-5,5-dibutyl-, 4-27-00-03276 (Beilstein Handbook Reference), Dihydro-5,5-dibutyl-2H-1,3-oxazine-2,4(3H)-dione, Diidro-5,5-dibutil-2H-1,3-ossazin-2,4(3H)-dione
| Molecular Formula | C12H21NO3 |
|---|---|
| Molecular Weight | 227.15 g/mol |
| LogP | 2.6196 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 227.15215 |
| Heavy Atoms | 16 |
| Complexity | 254.98949 |
Chemical Identifiers
| CAS Number | 100453-54-1 |
|---|---|
| SMILES | CCCCC1(COC(=O)NC1=O)CCCC |
Product Overview
2H-1,3-Oxazine-2,4(3H)-dione, dihydro-5,5-dibutyl- (CAS 100453-54-1), with molecular formula C12H21NO3 and molecular weight 227.15 g/mol. IUPAC: 5,5-dibutyl-1,3-oxazinane-2,4-dione.
Chemical Property Profile of 2H-1,3-Oxazine-2,4(3H)-dione, dihydro-5,5-dibutyl-
Property Insights of 2H-1,3-Oxazine-2,4(3H)-dione, dihydro-5,5-dibutyl-
The XLogP value of 2.6196 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,3-Oxazine-2,4(3H)-dione, dihydro-5,5-dibutyl-. With a topological polar surface area (TPSA) of 55.4 Ų, 2H-1,3-Oxazine-2,4(3H)-dione, dihydro-5,5-dibutyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,3-Oxazine-2,4(3H)-dione, dihydro-5,5-dibutyl- 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 2H-1,3-Oxazine-2,4(3H)-dione, dihydro-5,5-dibutyl-?
The CAS number of 2H-1,3-Oxazine-2,4(3H)-dione, dihydro-5,5-dibutyl- is 100453-54-1.
What is the molecular formula of 2H-1,3-Oxazine-2,4(3H)-dione, dihydro-5,5-dibutyl-?
The molecular formula of 2H-1,3-Oxazine-2,4(3H)-dione, dihydro-5,5-dibutyl- is C12H21NO3.
What is the molecular weight of 2H-1,3-Oxazine-2,4(3H)-dione, dihydro-5,5-dibutyl-?
The molecular weight of 2H-1,3-Oxazine-2,4(3H)-dione, dihydro-5,5-dibutyl- is 227.15 g/mol.
Where can I buy 2H-1,3-Oxazine-2,4(3H)-dione, dihydro-5,5-dibutyl-?
You can request a quote for 2H-1,3-Oxazine-2,4(3H)-dione, dihydro-5,5-dibutyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,3-Oxazine-2,4(3H)-dione, dihydro-5,5-dibutyl-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,3-Oxazine-2,4(3H)-dione, dihydro-5,5-dibutyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.