![2-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-10-iminohexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile structure](/static/products/100/1005047-29-9.png)
2-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-10-iminohexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile
TL;DR: 2-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-10-iminohexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile (CAS 1005047-29-9) is a chemical compound with molecular formula C22H24N4O2 and molecular weight 376.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-12-imino-10,11-dioxatricyclo[6.2.2.01,6]dodecane-7,7,8-tricarbonitrile
Also Known As: 2-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-10-iminohexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile, 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-10-iminohexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile, 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-10-iminotetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile
| Molecular Formula | C22H24N4O2 |
|---|---|
| Molecular Weight | 376.19 g/mol |
| LogP | 3.81511 |
| Topological Polar Surface Area | 113.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 376.1899 |
| Heavy Atoms | 28 |
| Complexity | 917.6541 |
Chemical Identifiers
| CAS Number | 1005047-29-9 |
|---|---|
| SMILES | CC1(C2CC=C(C1C2)C3C4(C(=N)OC5(O3)CCCCC5C4(C#N)C#N)C#N)C |
Product Overview
2-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-10-iminohexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile (CAS 1005047-29-9), with molecular formula C22H24N4O2 and molecular weight 376.19 g/mol. IUPAC: 9-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-12-imino-10,11-dioxatricyclo[6.2.2.01,6]dodecane-7,7,8-tricarbonitrile.
Chemical Property Profile of 2-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-10-iminohexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile
Property Insights of 2-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-10-iminohexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile
The XLogP value of 3.81511 indicates that 2-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-10-iminohexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-10-iminohexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile. Following Lipinski's Rule of Five, 2-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-10-iminohexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-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-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-10-iminohexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile?
The CAS number of 2-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-10-iminohexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile is 1005047-29-9.
What is the molecular formula of 2-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-10-iminohexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile?
The molecular formula of 2-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-10-iminohexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile is C22H24N4O2.
What is the molecular weight of 2-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-10-iminohexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile?
The molecular weight of 2-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-10-iminohexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile is 376.19 g/mol.
Where can I buy 2-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-10-iminohexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile?
You can request a quote for 2-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-10-iminohexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-10-iminohexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)-10-iminohexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.