![spiro[3H-1,3-benzoxazine-2,1'-cyclopentane]-4-one structure](/static/products/4003/40033-94-1.webp)
spiro[3H-1,3-benzoxazine-2,1'-cyclopentane]-4-one
TL;DR: spiro[3H-1,3-benzoxazine-2,1'-cyclopentane]-4-one (CAS 40033-94-1) is a chemical compound with molecular formula C12H13NO2 and molecular weight 203.09 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'-cyclopentane]-4-one
Also Known As: spiro[3H-1,3-benzoxazine-2,1'-cyclopentane]-4-one, BAS 00791969, spiro[1,3-benzoxazine-2,1'-cyclopentan]-4(3H)-one, spiro[1,3-benzoxazine-2,1'-cyclopentan]-4-ol, spiro[2h-1,3-benzoxazine-2,1'-cyclopentan]-4-ol
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 40033-94-1 |
|---|---|
| SMILES | C1CCC2(C1)NC(=O)C3=CC=CC=C3O2 |
| InChIKey | BSPVYWBNGUTBQQ-UHFFFAOYSA-N |
Product Overview
spiro[3H-1,3-benzoxazine-2,1'-cyclopentane]-4-one (CAS 40033-94-1), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: spiro[3H-1,3-benzoxazine-2,1'-cyclopentane]-4-one.
Chemical Property Profile of spiro[3H-1,3-benzoxazine-2,1'-cyclopentane]-4-one
Property Insights of spiro[3H-1,3-benzoxazine-2,1'-cyclopentane]-4-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for spiro[3H-1,3-benzoxazine-2,1'-cyclopentane]-4-one. With a topological polar surface area (TPSA) of 38.3 Ų, spiro[3H-1,3-benzoxazine-2,1'-cyclopentane]-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, spiro[3H-1,3-benzoxazine-2,1'-cyclopentane]-4-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[3H-1,3-benzoxazine-2,1'-cyclopentane]-4-one?
The CAS number of spiro[3H-1,3-benzoxazine-2,1'-cyclopentane]-4-one is 40033-94-1.
What is the molecular formula of spiro[3H-1,3-benzoxazine-2,1'-cyclopentane]-4-one?
The molecular formula of spiro[3H-1,3-benzoxazine-2,1'-cyclopentane]-4-one is C12H13NO2.
What is the molecular weight of spiro[3H-1,3-benzoxazine-2,1'-cyclopentane]-4-one?
The molecular weight of spiro[3H-1,3-benzoxazine-2,1'-cyclopentane]-4-one is 203.09 g/mol.
Where can I buy spiro[3H-1,3-benzoxazine-2,1'-cyclopentane]-4-one?
You can request a quote for spiro[3H-1,3-benzoxazine-2,1'-cyclopentane]-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for spiro[3H-1,3-benzoxazine-2,1'-cyclopentane]-4-one?
Yes, KEHONG BIO provides custom synthesis services for spiro[3H-1,3-benzoxazine-2,1'-cyclopentane]-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.