![4'-t-Butylspiro[1,3-benzoxazine-2,1'-cyclohexan]4(3h)-one structure](/static/products/777/77773-93-4.png)
4'-t-Butylspiro[1,3-benzoxazine-2,1'-cyclohexan]4(3h)-one
TL;DR: 4'-t-Butylspiro[1,3-benzoxazine-2,1'-cyclohexan]4(3h)-one (CAS 77773-93-4) is a chemical compound with molecular formula C17H23NO2 and molecular weight 273.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4'-tert-butylspiro[3H-1,3-benzoxazine-2,1'-cyclohexane]-4-one
Also Known As: 4'-tert-butylspiro[3H-1,3-benzoxazine-2,1'-cyclohexane]-4-one, A1952/0082075, 4'-t-butylspiro[1,3-benzoxazine-2,1'-cyclohexan]4(3h)-one, 9-tert-butyl-2,3-benzo-1-oxa-5-azaspiro[5.5]undecan-4-one, 4'-tert-butylspiro[1,3-benzoxazine-2,1'-cyclohexan]-4(3H)-one
| Molecular Formula | C17H23NO2 |
|---|---|
| Molecular Weight | 273.17 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 273.17288 |
| Heavy Atoms | 20 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 77773-93-4 |
|---|---|
| SMILES | CC(C)(C)C1CCC2(CC1)NC(=O)C3=CC=CC=C3O2 |
| InChIKey | STJVENDQRFTLCO-UHFFFAOYSA-N |
Product Overview
4'-t-Butylspiro[1,3-benzoxazine-2,1'-cyclohexan]4(3h)-one (CAS 77773-93-4), with molecular formula C17H23NO2 and molecular weight 273.17 g/mol. IUPAC: 4'-tert-butylspiro[3H-1,3-benzoxazine-2,1'-cyclohexane]-4-one.
Chemical Property Profile of 4'-t-Butylspiro[1,3-benzoxazine-2,1'-cyclohexan]4(3h)-one
Property Insights of 4'-t-Butylspiro[1,3-benzoxazine-2,1'-cyclohexan]4(3h)-one
The XLogP value of 4.1 indicates that 4'-t-Butylspiro[1,3-benzoxazine-2,1'-cyclohexan]4(3h)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 4'-t-Butylspiro[1,3-benzoxazine-2,1'-cyclohexan]4(3h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-t-Butylspiro[1,3-benzoxazine-2,1'-cyclohexan]4(3h)-one has 1 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 4'-t-Butylspiro[1,3-benzoxazine-2,1'-cyclohexan]4(3h)-one?
The CAS number of 4'-t-Butylspiro[1,3-benzoxazine-2,1'-cyclohexan]4(3h)-one is 77773-93-4.
What is the molecular formula of 4'-t-Butylspiro[1,3-benzoxazine-2,1'-cyclohexan]4(3h)-one?
The molecular formula of 4'-t-Butylspiro[1,3-benzoxazine-2,1'-cyclohexan]4(3h)-one is C17H23NO2.
What is the molecular weight of 4'-t-Butylspiro[1,3-benzoxazine-2,1'-cyclohexan]4(3h)-one?
The molecular weight of 4'-t-Butylspiro[1,3-benzoxazine-2,1'-cyclohexan]4(3h)-one is 273.17 g/mol.
Where can I buy 4'-t-Butylspiro[1,3-benzoxazine-2,1'-cyclohexan]4(3h)-one?
You can request a quote for 4'-t-Butylspiro[1,3-benzoxazine-2,1'-cyclohexan]4(3h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-t-Butylspiro[1,3-benzoxazine-2,1'-cyclohexan]4(3h)-one?
Yes, KEHONG BIO provides custom synthesis services for 4'-t-Butylspiro[1,3-benzoxazine-2,1'-cyclohexan]4(3h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.