2H-1,4-Benzoxazin-3(4H)-one, 2,2-dimethyl-7-(1-oxobutyl)-
TL;DR: 2H-1,4-Benzoxazin-3(4H)-one, 2,2-dimethyl-7-(1-oxobutyl)- (CAS 116337-72-5) is a chemical compound with molecular formula C14H17NO3 and molecular weight 247.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-butanoyl-2,2-dimethyl-4H-1,4-benzoxazin-3-one
Also Known As: 2H-1,4-Benzoxazin-3(4H)-one, 2,2-dimethyl-7-(1-oxobutyl)-, 2,2-Dimethyl-7-(1-oxobutyl)-2H-1,4-benzoxazin-3(4H)-one, 7-butanoyl-2,2-dimethyl-4H-1,4-benzoxazin-3-one, 7-Butanoyl-2,2-dimethyl-2H-1,4-benzoxazin-3(4H)-one, BRN 5949006
| Molecular Formula | C14H17NO3 |
|---|---|
| Molecular Weight | 247.12 g/mol |
| LogP | 2.7789 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.12085 |
| Heavy Atoms | 18 |
| Complexity | 505.76062 |
Chemical Identifiers
| CAS Number | 116337-72-5 |
|---|---|
| SMILES | CCCC(=O)C1=CC2=C(C=C1)NC(=O)C(O2)(C)C |
Product Overview
2H-1,4-Benzoxazin-3(4H)-one, 2,2-dimethyl-7-(1-oxobutyl)- (CAS 116337-72-5), with molecular formula C14H17NO3 and molecular weight 247.12 g/mol. IUPAC: 7-butanoyl-2,2-dimethyl-4H-1,4-benzoxazin-3-one.
Chemical Property Profile of 2H-1,4-Benzoxazin-3(4H)-one, 2,2-dimethyl-7-(1-oxobutyl)-
Property Insights of 2H-1,4-Benzoxazin-3(4H)-one, 2,2-dimethyl-7-(1-oxobutyl)-
The XLogP value of 2.7789 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,4-Benzoxazin-3(4H)-one, 2,2-dimethyl-7-(1-oxobutyl)-. With a topological polar surface area (TPSA) of 55.4 Ų, 2H-1,4-Benzoxazin-3(4H)-one, 2,2-dimethyl-7-(1-oxobutyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,4-Benzoxazin-3(4H)-one, 2,2-dimethyl-7-(1-oxobutyl)- 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-1,4-Benzoxazin-3(4H)-one, 2,2-dimethyl-7-(1-oxobutyl)-?
The CAS number of 2H-1,4-Benzoxazin-3(4H)-one, 2,2-dimethyl-7-(1-oxobutyl)- is 116337-72-5.
What is the molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 2,2-dimethyl-7-(1-oxobutyl)-?
The molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 2,2-dimethyl-7-(1-oxobutyl)- is C14H17NO3.
What is the molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 2,2-dimethyl-7-(1-oxobutyl)-?
The molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 2,2-dimethyl-7-(1-oxobutyl)- is 247.12 g/mol.
Where can I buy 2H-1,4-Benzoxazin-3(4H)-one, 2,2-dimethyl-7-(1-oxobutyl)-?
You can request a quote for 2H-1,4-Benzoxazin-3(4H)-one, 2,2-dimethyl-7-(1-oxobutyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,4-Benzoxazin-3(4H)-one, 2,2-dimethyl-7-(1-oxobutyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzoxazin-3(4H)-one, 2,2-dimethyl-7-(1-oxobutyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.