![spiro[1,3-benzoxazine-2,1'-cycloheptan]-4(3H)-one structure](/static/products/777/77773-96-7.png)
spiro[1,3-benzoxazine-2,1'-cycloheptan]-4(3H)-one
TL;DR: spiro[1,3-benzoxazine-2,1'-cycloheptan]-4(3H)-one (CAS 77773-96-7) is a chemical compound with molecular formula C14H17NO2 and molecular weight 231.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
spiro[3H-1,3-benzoxazine-2,1'-cycloheptane]-4-one
Also Known As: BAS 01170838, spiro[1,3-benzoxazine-2,1'-cycloheptan]-4(3H)-one, spiro[3H-1,3-benzoxazine-2,1'-cycloheptane]-4-one, 3,4-DIHYDROSPIRO[1,3-BENZOXAZINE-2,1'-CYCLOHEPTAN]-4-ONE, Spiro[2H-1,3-benzoxazine-2,1 -cycloheptan]-4(3H)-one
| Molecular Formula | C14H17NO2 |
|---|---|
| Molecular Weight | 231.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 231.12593 |
| Heavy Atoms | 17 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 77773-96-7 |
|---|---|
| SMILES | C1CCCC2(CC1)NC(=O)C3=CC=CC=C3O2 |
| InChIKey | FHEGZMBTBNTEFE-UHFFFAOYSA-N |
Product Overview
spiro[1,3-benzoxazine-2,1'-cycloheptan]-4(3H)-one (CAS 77773-96-7), with molecular formula C14H17NO2 and molecular weight 231.13 g/mol. IUPAC: spiro[3H-1,3-benzoxazine-2,1'-cycloheptane]-4-one.
Chemical Property Profile of spiro[1,3-benzoxazine-2,1'-cycloheptan]-4(3H)-one
Property Insights of spiro[1,3-benzoxazine-2,1'-cycloheptan]-4(3H)-one
The XLogP value of 3.2 indicates that spiro[1,3-benzoxazine-2,1'-cycloheptan]-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, spiro[1,3-benzoxazine-2,1'-cycloheptan]-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, spiro[1,3-benzoxazine-2,1'-cycloheptan]-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 spiro[1,3-benzoxazine-2,1'-cycloheptan]-4(3H)-one?
The CAS number of spiro[1,3-benzoxazine-2,1'-cycloheptan]-4(3H)-one is 77773-96-7.
What is the molecular formula of spiro[1,3-benzoxazine-2,1'-cycloheptan]-4(3H)-one?
The molecular formula of spiro[1,3-benzoxazine-2,1'-cycloheptan]-4(3H)-one is C14H17NO2.
What is the molecular weight of spiro[1,3-benzoxazine-2,1'-cycloheptan]-4(3H)-one?
The molecular weight of spiro[1,3-benzoxazine-2,1'-cycloheptan]-4(3H)-one is 231.13 g/mol.
Where can I buy spiro[1,3-benzoxazine-2,1'-cycloheptan]-4(3H)-one?
You can request a quote for spiro[1,3-benzoxazine-2,1'-cycloheptan]-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 spiro[1,3-benzoxazine-2,1'-cycloheptan]-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for spiro[1,3-benzoxazine-2,1'-cycloheptan]-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.