10-imino-2-(4-nitrophenyl)tetrahydro-8a,4-(epoxymethano)chromene-3,3,4(2H,4aH)-tricarbonitrile
TL;DR: 10-imino-2-(4-nitrophenyl)tetrahydro-8a,4-(epoxymethano)chromene-3,3,4(2H,4aH)-tricarbonitrile (CAS 1007916-32-6) is a chemical compound with molecular formula C19H15N5O4 and molecular weight 377.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-imino-9-(4-nitrophenyl)-10,11-dioxatricyclo[5.3.2.01,6]dodecane-7,8,8-tricarbonitrile
Also Known As: 10-imino-2-(4-nitrophenyl)tetrahydro-8a,4-(epoxymethano)chromene-3,3,4(2H,4aH)-tricarbonitrile, 10-imino-2-(4-nitrophenyl)hexahydro-8a,4-(epoxymethano)chromene-3,3,4(2H)-tricarbonitrile
| Molecular Formula | C19H15N5O4 |
|---|---|
| Molecular Weight | 377.11 g/mol |
| LogP | 3.10361 |
| Topological Polar Surface Area | 156.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 377.1124 |
| Heavy Atoms | 28 |
| Complexity | 987.1259 |
Chemical Identifiers
| CAS Number | 1007916-32-6 |
|---|---|
| SMILES | C1CCC23C(C1)C(C(=N)O2)(C(C(O3)C4=CC=C(C=C4)[N+](=O)[O-])(C#N)C#N)C#N |
Product Overview
10-imino-2-(4-nitrophenyl)tetrahydro-8a,4-(epoxymethano)chromene-3,3,4(2H,4aH)-tricarbonitrile (CAS 1007916-32-6), with molecular formula C19H15N5O4 and molecular weight 377.11 g/mol. IUPAC: 12-imino-9-(4-nitrophenyl)-10,11-dioxatricyclo[5.3.2.01,6]dodecane-7,8,8-tricarbonitrile.
Chemical Property Profile of 10-imino-2-(4-nitrophenyl)tetrahydro-8a,4-(epoxymethano)chromene-3,3,4(2H,4aH)-tricarbonitrile
Property Insights of 10-imino-2-(4-nitrophenyl)tetrahydro-8a,4-(epoxymethano)chromene-3,3,4(2H,4aH)-tricarbonitrile
The XLogP value of 3.10361 indicates that 10-imino-2-(4-nitrophenyl)tetrahydro-8a,4-(epoxymethano)chromene-3,3,4(2H,4aH)-tricarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 156.82 Ų indicates high polarity, suggesting 10-imino-2-(4-nitrophenyl)tetrahydro-8a,4-(epoxymethano)chromene-3,3,4(2H,4aH)-tricarbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 10-imino-2-(4-nitrophenyl)tetrahydro-8a,4-(epoxymethano)chromene-3,3,4(2H,4aH)-tricarbonitrile has 1 hydrogen bond donor(s) and 8 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-(4-nitrophenyl)tetrahydro-8a,4-(epoxymethano)chromene-3,3,4(2H,4aH)-tricarbonitrile?
The CAS number of 10-imino-2-(4-nitrophenyl)tetrahydro-8a,4-(epoxymethano)chromene-3,3,4(2H,4aH)-tricarbonitrile is 1007916-32-6.
What is the molecular formula of 10-imino-2-(4-nitrophenyl)tetrahydro-8a,4-(epoxymethano)chromene-3,3,4(2H,4aH)-tricarbonitrile?
The molecular formula of 10-imino-2-(4-nitrophenyl)tetrahydro-8a,4-(epoxymethano)chromene-3,3,4(2H,4aH)-tricarbonitrile is C19H15N5O4.
What is the molecular weight of 10-imino-2-(4-nitrophenyl)tetrahydro-8a,4-(epoxymethano)chromene-3,3,4(2H,4aH)-tricarbonitrile?
The molecular weight of 10-imino-2-(4-nitrophenyl)tetrahydro-8a,4-(epoxymethano)chromene-3,3,4(2H,4aH)-tricarbonitrile is 377.11 g/mol.
Where can I buy 10-imino-2-(4-nitrophenyl)tetrahydro-8a,4-(epoxymethano)chromene-3,3,4(2H,4aH)-tricarbonitrile?
You can request a quote for 10-imino-2-(4-nitrophenyl)tetrahydro-8a,4-(epoxymethano)chromene-3,3,4(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 10-imino-2-(4-nitrophenyl)tetrahydro-8a,4-(epoxymethano)chromene-3,3,4(2H,4aH)-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 10-imino-2-(4-nitrophenyl)tetrahydro-8a,4-(epoxymethano)chromene-3,3,4(2H,4aH)-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.