2-(4-bromophenyl)-3-(cyclopropylcarbonyl)-2,3-dihydroindolizine-1,1,6(8aH)-tricarbonitrile
TL;DR: 2-(4-bromophenyl)-3-(cyclopropylcarbonyl)-2,3-dihydroindolizine-1,1,6(8aH)-tricarbonitrile (CAS 312713-29-4) is a chemical compound with molecular formula C21H15BrN4O and molecular weight 418.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)-3-(cyclopropanecarbonyl)-3,8a-dihydro-2H-indolizine-1,1,6-tricarbonitrile
Also Known As: 2-(4-bromophenyl)-3-(cyclopropylcarbonyl)-2,3-dihydroindolizine-1,1,6(8aH)-tricarbonitrile, 2-(4-bromophenyl)-3-(cyclopropanecarbonyl)-2,3-dihydroindolizine-1,1,6(8aH)-tricarbonitrile, 2-(4-bromophenyl)-3-(cyclopropanecarbonyl)-3,8a-dihydro-2H-indolizine-1,1,6-tricarbonitrile
| Molecular Formula | C21H15BrN4O |
|---|---|
| Molecular Weight | 418.04 g/mol |
| LogP | 3.57544 |
| Topological Polar Surface Area | 91.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.0429 |
| Heavy Atoms | 27 |
| Complexity | 970.9835 |
Chemical Identifiers
| CAS Number | 312713-29-4 |
|---|---|
| SMILES | C1CC1C(=O)C2C(C(C3N2C=C(C=C3)C#N)(C#N)C#N)C4=CC=C(C=C4)Br |
Product Overview
2-(4-bromophenyl)-3-(cyclopropylcarbonyl)-2,3-dihydroindolizine-1,1,6(8aH)-tricarbonitrile (CAS 312713-29-4), with molecular formula C21H15BrN4O and molecular weight 418.04 g/mol. IUPAC: 2-(4-bromophenyl)-3-(cyclopropanecarbonyl)-3,8a-dihydro-2H-indolizine-1,1,6-tricarbonitrile.
Chemical Property Profile of 2-(4-bromophenyl)-3-(cyclopropylcarbonyl)-2,3-dihydroindolizine-1,1,6(8aH)-tricarbonitrile
Property Insights of 2-(4-bromophenyl)-3-(cyclopropylcarbonyl)-2,3-dihydroindolizine-1,1,6(8aH)-tricarbonitrile
The XLogP value of 3.57544 indicates that 2-(4-bromophenyl)-3-(cyclopropylcarbonyl)-2,3-dihydroindolizine-1,1,6(8aH)-tricarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-bromophenyl)-3-(cyclopropylcarbonyl)-2,3-dihydroindolizine-1,1,6(8aH)-tricarbonitrile. Following Lipinski's Rule of Five, 2-(4-bromophenyl)-3-(cyclopropylcarbonyl)-2,3-dihydroindolizine-1,1,6(8aH)-tricarbonitrile has 0 hydrogen bond donor(s) and 5 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-(4-bromophenyl)-3-(cyclopropylcarbonyl)-2,3-dihydroindolizine-1,1,6(8aH)-tricarbonitrile?
The CAS number of 2-(4-bromophenyl)-3-(cyclopropylcarbonyl)-2,3-dihydroindolizine-1,1,6(8aH)-tricarbonitrile is 312713-29-4.
What is the molecular formula of 2-(4-bromophenyl)-3-(cyclopropylcarbonyl)-2,3-dihydroindolizine-1,1,6(8aH)-tricarbonitrile?
The molecular formula of 2-(4-bromophenyl)-3-(cyclopropylcarbonyl)-2,3-dihydroindolizine-1,1,6(8aH)-tricarbonitrile is C21H15BrN4O.
What is the molecular weight of 2-(4-bromophenyl)-3-(cyclopropylcarbonyl)-2,3-dihydroindolizine-1,1,6(8aH)-tricarbonitrile?
The molecular weight of 2-(4-bromophenyl)-3-(cyclopropylcarbonyl)-2,3-dihydroindolizine-1,1,6(8aH)-tricarbonitrile is 418.04 g/mol.
Where can I buy 2-(4-bromophenyl)-3-(cyclopropylcarbonyl)-2,3-dihydroindolizine-1,1,6(8aH)-tricarbonitrile?
You can request a quote for 2-(4-bromophenyl)-3-(cyclopropylcarbonyl)-2,3-dihydroindolizine-1,1,6(8aH)-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-bromophenyl)-3-(cyclopropylcarbonyl)-2,3-dihydroindolizine-1,1,6(8aH)-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-bromophenyl)-3-(cyclopropylcarbonyl)-2,3-dihydroindolizine-1,1,6(8aH)-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.