2H-3,1-Benzoxazin-2-one, 1,4-dihydro-6-bromo-4,4-dimethyl-1-isobutyl-
TL;DR: 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-6-bromo-4,4-dimethyl-1-isobutyl- (CAS 24466-52-2) is a chemical compound with molecular formula C14H18BrNO2 and molecular weight 311.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-4,4-dimethyl-1-(2-methylpropyl)-3,1-benzoxazin-2-one
Also Known As: 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-6-bromo-4,4-dimethyl-1-isobutyl-, 6-bromo-4,4-dimethyl-1-(2-methylpropyl)-1,4-dihydro-2h-3,1-benzoxazin-2-one, 1,4-Dihydro-6-bromo-4,4-dimethyl-1-isobutyl-2H-3,1-benzoxazin-2-one, 6-bromo-4,4-dimethyl-1-(2-methylpropyl)-3,1-benzoxazin-2-one, BRN 1123077
| Molecular Formula | C14H18BrNO2 |
|---|---|
| Molecular Weight | 311.05 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.0521 |
| Heavy Atoms | 18 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 24466-52-2 |
|---|---|
| SMILES | CC(C)CN1C2=C(C=C(C=C2)Br)C(OC1=O)(C)C |
| InChIKey | YOSNBAAGDFSZHM-UHFFFAOYSA-N |
Product Overview
2H-3,1-Benzoxazin-2-one, 1,4-dihydro-6-bromo-4,4-dimethyl-1-isobutyl- (CAS 24466-52-2), with molecular formula C14H18BrNO2 and molecular weight 311.05 g/mol. IUPAC: 6-bromo-4,4-dimethyl-1-(2-methylpropyl)-3,1-benzoxazin-2-one.
Chemical Property Profile of 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-6-bromo-4,4-dimethyl-1-isobutyl-
Property Insights of 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-6-bromo-4,4-dimethyl-1-isobutyl-
The XLogP value of 3.9 indicates that 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-6-bromo-4,4-dimethyl-1-isobutyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-6-bromo-4,4-dimethyl-1-isobutyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-6-bromo-4,4-dimethyl-1-isobutyl- has 0 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 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-6-bromo-4,4-dimethyl-1-isobutyl-?
The CAS number of 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-6-bromo-4,4-dimethyl-1-isobutyl- is 24466-52-2.
What is the molecular formula of 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-6-bromo-4,4-dimethyl-1-isobutyl-?
The molecular formula of 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-6-bromo-4,4-dimethyl-1-isobutyl- is C14H18BrNO2.
What is the molecular weight of 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-6-bromo-4,4-dimethyl-1-isobutyl-?
The molecular weight of 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-6-bromo-4,4-dimethyl-1-isobutyl- is 311.05 g/mol.
Where can I buy 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-6-bromo-4,4-dimethyl-1-isobutyl-?
You can request a quote for 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-6-bromo-4,4-dimethyl-1-isobutyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-6-bromo-4,4-dimethyl-1-isobutyl-?
Yes, KEHONG BIO provides custom synthesis services for 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-6-bromo-4,4-dimethyl-1-isobutyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.