2-(3-bromophenyl)-10-iminohexahydro-8a,4-(epoxymethano)chromene-3,3,4(2H)-tricarbonitrile
TL;DR: 2-(3-bromophenyl)-10-iminohexahydro-8a,4-(epoxymethano)chromene-3,3,4(2H)-tricarbonitrile (CAS 1009502-79-7) is a chemical compound with molecular formula C19H15BrN4O2 and molecular weight 410.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3-bromophenyl)-12-imino-10,11-dioxatricyclo[5.3.2.01,6]dodecane-7,8,8-tricarbonitrile
Also Known As: 2-(3-bromophenyl)-10-iminohexahydro-8a,4-(epoxymethano)chromene-3,3,4(2H)-tricarbonitrile, 2-(3-bromophenyl)-10-iminotetrahydro-8a,4-(epoxymethano)chromene-3,3,4(2H,4aH)-tricarbonitrile
| Molecular Formula | C19H15BrN4O2 |
|---|---|
| Molecular Weight | 410.04 g/mol |
| LogP | 3.95791 |
| Topological Polar Surface Area | 113.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 410.03784 |
| Heavy Atoms | 26 |
| Complexity | 912.69244 |
Chemical Identifiers
| CAS Number | 1009502-79-7 |
|---|---|
| SMILES | C1CCC23C(C1)C(C(=N)O2)(C(C(O3)C4=CC(=CC=C4)Br)(C#N)C#N)C#N |
Product Overview
2-(3-bromophenyl)-10-iminohexahydro-8a,4-(epoxymethano)chromene-3,3,4(2H)-tricarbonitrile (CAS 1009502-79-7), with molecular formula C19H15BrN4O2 and molecular weight 410.04 g/mol. IUPAC: 9-(3-bromophenyl)-12-imino-10,11-dioxatricyclo[5.3.2.01,6]dodecane-7,8,8-tricarbonitrile.
Chemical Property Profile of 2-(3-bromophenyl)-10-iminohexahydro-8a,4-(epoxymethano)chromene-3,3,4(2H)-tricarbonitrile
Property Insights of 2-(3-bromophenyl)-10-iminohexahydro-8a,4-(epoxymethano)chromene-3,3,4(2H)-tricarbonitrile
The XLogP value of 3.95791 indicates that 2-(3-bromophenyl)-10-iminohexahydro-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 2-(3-bromophenyl)-10-iminohexahydro-8a,4-(epoxymethano)chromene-3,3,4(2H)-tricarbonitrile. Following Lipinski's Rule of Five, 2-(3-bromophenyl)-10-iminohexahydro-8a,4-(epoxymethano)chromene-3,3,4(2H)-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-(3-bromophenyl)-10-iminohexahydro-8a,4-(epoxymethano)chromene-3,3,4(2H)-tricarbonitrile?
The CAS number of 2-(3-bromophenyl)-10-iminohexahydro-8a,4-(epoxymethano)chromene-3,3,4(2H)-tricarbonitrile is 1009502-79-7.
What is the molecular formula of 2-(3-bromophenyl)-10-iminohexahydro-8a,4-(epoxymethano)chromene-3,3,4(2H)-tricarbonitrile?
The molecular formula of 2-(3-bromophenyl)-10-iminohexahydro-8a,4-(epoxymethano)chromene-3,3,4(2H)-tricarbonitrile is C19H15BrN4O2.
What is the molecular weight of 2-(3-bromophenyl)-10-iminohexahydro-8a,4-(epoxymethano)chromene-3,3,4(2H)-tricarbonitrile?
The molecular weight of 2-(3-bromophenyl)-10-iminohexahydro-8a,4-(epoxymethano)chromene-3,3,4(2H)-tricarbonitrile is 410.04 g/mol.
Where can I buy 2-(3-bromophenyl)-10-iminohexahydro-8a,4-(epoxymethano)chromene-3,3,4(2H)-tricarbonitrile?
You can request a quote for 2-(3-bromophenyl)-10-iminohexahydro-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 2-(3-bromophenyl)-10-iminohexahydro-8a,4-(epoxymethano)chromene-3,3,4(2H)-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-bromophenyl)-10-iminohexahydro-8a,4-(epoxymethano)chromene-3,3,4(2H)-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.