10-imino-2-(thiophen-2-yl)hexahydro-8a,4-(epoxymethano)chromene-3,3,4(2H)-tricarbonitrile
TL;DR: 10-imino-2-(thiophen-2-yl)hexahydro-8a,4-(epoxymethano)chromene-3,3,4(2H)-tricarbonitrile (CAS 1007949-61-2) is a chemical compound with molecular formula C17H14N4O2S and molecular weight 338.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-imino-9-thiophen-2-yl-10,11-dioxatricyclo[5.3.2.01,6]dodecane-7,8,8-tricarbonitrile
Also Known As: 10-imino-2-(thiophen-2-yl)hexahydro-8a,4-(epoxymethano)chromene-3,3,4(2H)-tricarbonitrile, 10-imino-2-(thiophen-2-yl)tetrahydro-8a,4-(epoxymethano)chromene-3,3,4(2H,4aH)-tricarbonitrile
| Molecular Formula | C17H14N4O2S |
|---|---|
| Molecular Weight | 338.08 g/mol |
| LogP | 3.25691 |
| Topological Polar Surface Area | 113.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 338.08374 |
| Heavy Atoms | 24 |
| Complexity | 816.2525 |
Chemical Identifiers
| CAS Number | 1007949-61-2 |
|---|---|
| SMILES | C1CCC23C(C1)C(C(=N)O2)(C(C(O3)C4=CC=CS4)(C#N)C#N)C#N |
Product Overview
10-imino-2-(thiophen-2-yl)hexahydro-8a,4-(epoxymethano)chromene-3,3,4(2H)-tricarbonitrile (CAS 1007949-61-2), with molecular formula C17H14N4O2S and molecular weight 338.08 g/mol. IUPAC: 12-imino-9-thiophen-2-yl-10,11-dioxatricyclo[5.3.2.01,6]dodecane-7,8,8-tricarbonitrile.
Chemical Property Profile of 10-imino-2-(thiophen-2-yl)hexahydro-8a,4-(epoxymethano)chromene-3,3,4(2H)-tricarbonitrile
Property Insights of 10-imino-2-(thiophen-2-yl)hexahydro-8a,4-(epoxymethano)chromene-3,3,4(2H)-tricarbonitrile
The XLogP value of 3.25691 indicates that 10-imino-2-(thiophen-2-yl)hexahydro-8a,4-(epoxymethano)chromene-3,3,4(2H)-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 10-imino-2-(thiophen-2-yl)hexahydro-8a,4-(epoxymethano)chromene-3,3,4(2H)-tricarbonitrile. Following Lipinski's Rule of Five, 10-imino-2-(thiophen-2-yl)hexahydro-8a,4-(epoxymethano)chromene-3,3,4(2H)-tricarbonitrile has 1 hydrogen bond donor(s) and 7 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 10-imino-2-(thiophen-2-yl)hexahydro-8a,4-(epoxymethano)chromene-3,3,4(2H)-tricarbonitrile?
The CAS number of 10-imino-2-(thiophen-2-yl)hexahydro-8a,4-(epoxymethano)chromene-3,3,4(2H)-tricarbonitrile is 1007949-61-2.
What is the molecular formula of 10-imino-2-(thiophen-2-yl)hexahydro-8a,4-(epoxymethano)chromene-3,3,4(2H)-tricarbonitrile?
The molecular formula of 10-imino-2-(thiophen-2-yl)hexahydro-8a,4-(epoxymethano)chromene-3,3,4(2H)-tricarbonitrile is C17H14N4O2S.
What is the molecular weight of 10-imino-2-(thiophen-2-yl)hexahydro-8a,4-(epoxymethano)chromene-3,3,4(2H)-tricarbonitrile?
The molecular weight of 10-imino-2-(thiophen-2-yl)hexahydro-8a,4-(epoxymethano)chromene-3,3,4(2H)-tricarbonitrile is 338.08 g/mol.
Where can I buy 10-imino-2-(thiophen-2-yl)hexahydro-8a,4-(epoxymethano)chromene-3,3,4(2H)-tricarbonitrile?
You can request a quote for 10-imino-2-(thiophen-2-yl)hexahydro-8a,4-(epoxymethano)chromene-3,3,4(2H)-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-imino-2-(thiophen-2-yl)hexahydro-8a,4-(epoxymethano)chromene-3,3,4(2H)-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 10-imino-2-(thiophen-2-yl)hexahydro-8a,4-(epoxymethano)chromene-3,3,4(2H)-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.