![2'-imino-2-oxohexahydro-2'H-spiro[cyclohexane-1,4'-[1]oxa[3,9a]methano[1]benzoxepine]-3',10',10'-tricarbonitrile structure](/static/products/360/360772-59-4.png)
2'-imino-2-oxohexahydro-2'H-spiro[cyclohexane-1,4'-[1]oxa[3,9a]methano[1]benzoxepine]-3',10',10'-tricarbonitrile
TL;DR: 2'-imino-2-oxohexahydro-2'H-spiro[cyclohexane-1,4'-[1]oxa[3,9a]methano[1]benzoxepine]-3',10',10'-tricarbonitrile (CAS 360772-59-4) is a chemical compound with molecular formula C19H20N4O2 and molecular weight 336.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-imino-2'-oxospiro[11-oxatricyclo[7.2.1.01,6]dodecane-8,1'-cyclohexane]-9,12,12-tricarbonitrile
Also Known As: 2'-imino-2-oxohexahydro-2'H-spiro[cyclohexane-1,4'-[1]oxa[3,9a]methano[1]benzoxepine]-3',10',10'-tricarbonitrile, 2-imino-2'-oxooctahydrospiro[3,9a-methanobenzo[b]oxepine-4,1'-cyclohexane]-3,10,10-tricarbonitrile
| Molecular Formula | C19H20N4O2 |
|---|---|
| Molecular Weight | 336.16 g/mol |
| LogP | 2.99961 |
| Topological Polar Surface Area | 121.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 336.15863 |
| Heavy Atoms | 25 |
| Complexity | 785.7124 |
Chemical Identifiers
| CAS Number | 360772-59-4 |
|---|---|
| SMILES | C1CCC23C(C1)CC4(CCCCC4=O)C(C2(C#N)C#N)(C(=N)O3)C#N |
Product Overview
2'-imino-2-oxohexahydro-2'H-spiro[cyclohexane-1,4'-[1]oxa[3,9a]methano[1]benzoxepine]-3',10',10'-tricarbonitrile (CAS 360772-59-4), with molecular formula C19H20N4O2 and molecular weight 336.16 g/mol. IUPAC: 10-imino-2'-oxospiro[11-oxatricyclo[7.2.1.01,6]dodecane-8,1'-cyclohexane]-9,12,12-tricarbonitrile.
Chemical Property Profile of 2'-imino-2-oxohexahydro-2'H-spiro[cyclohexane-1,4'-[1]oxa[3,9a]methano[1]benzoxepine]-3',10',10'-tricarbonitrile
Property Insights of 2'-imino-2-oxohexahydro-2'H-spiro[cyclohexane-1,4'-[1]oxa[3,9a]methano[1]benzoxepine]-3',10',10'-tricarbonitrile
The XLogP value of 2.99961 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'-imino-2-oxohexahydro-2'H-spiro[cyclohexane-1,4'-[1]oxa[3,9a]methano[1]benzoxepine]-3',10',10'-tricarbonitrile. The TPSA of 121.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-imino-2-oxohexahydro-2'H-spiro[cyclohexane-1,4'-[1]oxa[3,9a]methano[1]benzoxepine]-3',10',10'-tricarbonitrile. Following Lipinski's Rule of Five, 2'-imino-2-oxohexahydro-2'H-spiro[cyclohexane-1,4'-[1]oxa[3,9a]methano[1]benzoxepine]-3',10',10'-tricarbonitrile has 1 hydrogen bond donor(s) and 6 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 2'-imino-2-oxohexahydro-2'H-spiro[cyclohexane-1,4'-[1]oxa[3,9a]methano[1]benzoxepine]-3',10',10'-tricarbonitrile?
The CAS number of 2'-imino-2-oxohexahydro-2'H-spiro[cyclohexane-1,4'-[1]oxa[3,9a]methano[1]benzoxepine]-3',10',10'-tricarbonitrile is 360772-59-4.
What is the molecular formula of 2'-imino-2-oxohexahydro-2'H-spiro[cyclohexane-1,4'-[1]oxa[3,9a]methano[1]benzoxepine]-3',10',10'-tricarbonitrile?
The molecular formula of 2'-imino-2-oxohexahydro-2'H-spiro[cyclohexane-1,4'-[1]oxa[3,9a]methano[1]benzoxepine]-3',10',10'-tricarbonitrile is C19H20N4O2.
What is the molecular weight of 2'-imino-2-oxohexahydro-2'H-spiro[cyclohexane-1,4'-[1]oxa[3,9a]methano[1]benzoxepine]-3',10',10'-tricarbonitrile?
The molecular weight of 2'-imino-2-oxohexahydro-2'H-spiro[cyclohexane-1,4'-[1]oxa[3,9a]methano[1]benzoxepine]-3',10',10'-tricarbonitrile is 336.16 g/mol.
Where can I buy 2'-imino-2-oxohexahydro-2'H-spiro[cyclohexane-1,4'-[1]oxa[3,9a]methano[1]benzoxepine]-3',10',10'-tricarbonitrile?
You can request a quote for 2'-imino-2-oxohexahydro-2'H-spiro[cyclohexane-1,4'-[1]oxa[3,9a]methano[1]benzoxepine]-3',10',10'-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-imino-2-oxohexahydro-2'H-spiro[cyclohexane-1,4'-[1]oxa[3,9a]methano[1]benzoxepine]-3',10',10'-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2'-imino-2-oxohexahydro-2'H-spiro[cyclohexane-1,4'-[1]oxa[3,9a]methano[1]benzoxepine]-3',10',10'-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.