![Spiro[cyclohexane-1,2'(1'H)-quinazolin]-4'(3'H)-one structure](/static/products/950/950-31-2.png)
Spiro[cyclohexane-1,2'(1'H)-quinazolin]-4'(3'H)-one
TL;DR: Spiro[cyclohexane-1,2'(1'H)-quinazolin]-4'(3'H)-one (CAS 950-31-2) is a chemical compound with molecular formula C13H16N2O and molecular weight 216.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
spiro[1,3-dihydroquinazoline-2,1'-cyclohexane]-4-one
Also Known As: 1'H-spiro[cyclohexane-1,2'-quinazolin]-4'(3'H)-one, spiro[1,3-dihydroquinazoline-2,1'-cyclohexane]-4-one, BAS 12409108, 3',4'-dihydro-1'H-spiro[cyclohexane-1,2'-quinazoline]-4'-one, Spiro[cyclohexane-1,2'(1'H)-quinazolin]-4'(3'H)-one
| Molecular Formula | C13H16N2O |
|---|---|
| Molecular Weight | 216.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 216.12627 |
| Heavy Atoms | 16 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 950-31-2 |
|---|---|
| SMILES | C1CCC2(CC1)NC3=CC=CC=C3C(=O)N2 |
| InChIKey | LUDINISIACCKKZ-UHFFFAOYSA-N |
Product Overview
Spiro[cyclohexane-1,2'(1'H)-quinazolin]-4'(3'H)-one (CAS 950-31-2), with molecular formula C13H16N2O and molecular weight 216.13 g/mol. IUPAC: spiro[1,3-dihydroquinazoline-2,1'-cyclohexane]-4-one.
Chemical Property Profile of Spiro[cyclohexane-1,2'(1'H)-quinazolin]-4'(3'H)-one
Property Insights of Spiro[cyclohexane-1,2'(1'H)-quinazolin]-4'(3'H)-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spiro[cyclohexane-1,2'(1'H)-quinazolin]-4'(3'H)-one. With a topological polar surface area (TPSA) of 41.1 Ų, Spiro[cyclohexane-1,2'(1'H)-quinazolin]-4'(3'H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spiro[cyclohexane-1,2'(1'H)-quinazolin]-4'(3'H)-one has 2 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[cyclohexane-1,2'(1'H)-quinazolin]-4'(3'H)-one?
The CAS number of Spiro[cyclohexane-1,2'(1'H)-quinazolin]-4'(3'H)-one is 950-31-2.
What is the molecular formula of Spiro[cyclohexane-1,2'(1'H)-quinazolin]-4'(3'H)-one?
The molecular formula of Spiro[cyclohexane-1,2'(1'H)-quinazolin]-4'(3'H)-one is C13H16N2O.
What is the molecular weight of Spiro[cyclohexane-1,2'(1'H)-quinazolin]-4'(3'H)-one?
The molecular weight of Spiro[cyclohexane-1,2'(1'H)-quinazolin]-4'(3'H)-one is 216.13 g/mol.
Where can I buy Spiro[cyclohexane-1,2'(1'H)-quinazolin]-4'(3'H)-one?
You can request a quote for Spiro[cyclohexane-1,2'(1'H)-quinazolin]-4'(3'H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiro[cyclohexane-1,2'(1'H)-quinazolin]-4'(3'H)-one?
Yes, KEHONG BIO provides custom synthesis services for Spiro[cyclohexane-1,2'(1'H)-quinazolin]-4'(3'H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.