2-imino-10-propyltetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile
TL;DR: 2-imino-10-propyltetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile (CAS 95059-23-7) is a chemical compound with molecular formula C16H18N4O2 and molecular weight 298.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-imino-12-propyl-10,11-dioxatricyclo[6.2.2.01,6]dodecane-7,7,8-tricarbonitrile
Also Known As: 2-imino-10-propyltetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile, 9-Imino-12-propyl-10,11-dioxatricyclo[6.2.2.01,6]dodecane-7,7,8-tricarbonitrile, 2-imino-10-propylhexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile, 9-Imino-12-propyl-10,11-dioxa-tricyclo[6.2.2.0*1,6*]dodecane-7,7,8-tricarbonitrile
| Molecular Formula | C16H18N4O2 |
|---|---|
| Molecular Weight | 298.14 g/mol |
| LogP | 2.62281 |
| Topological Polar Surface Area | 113.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.14297 |
| Heavy Atoms | 22 |
| Complexity | 626.0019 |
Chemical Identifiers
| CAS Number | 95059-23-7 |
|---|---|
| SMILES | CCCC1C2(C(=N)OC3(O1)CCCCC3C2(C#N)C#N)C#N |
Product Overview
2-imino-10-propyltetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile (CAS 95059-23-7), with molecular formula C16H18N4O2 and molecular weight 298.14 g/mol. IUPAC: 9-imino-12-propyl-10,11-dioxatricyclo[6.2.2.01,6]dodecane-7,7,8-tricarbonitrile.
Chemical Property Profile of 2-imino-10-propyltetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile
Property Insights of 2-imino-10-propyltetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile
The XLogP value of 2.62281 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-imino-10-propyltetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile. The TPSA of 113.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-imino-10-propyltetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile. Following Lipinski's Rule of Five, 2-imino-10-propyltetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,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-imino-10-propyltetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile?
The CAS number of 2-imino-10-propyltetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile is 95059-23-7.
What is the molecular formula of 2-imino-10-propyltetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile?
The molecular formula of 2-imino-10-propyltetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile is C16H18N4O2.
What is the molecular weight of 2-imino-10-propyltetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile?
The molecular weight of 2-imino-10-propyltetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile is 298.14 g/mol.
Where can I buy 2-imino-10-propyltetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile?
You can request a quote for 2-imino-10-propyltetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,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-imino-10-propyltetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-imino-10-propyltetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.