methylidene}propanedinitrile structure](/static/products/313/313507-35-6.png)
{[2-(4-bromophenyl)-6-cyano-3-(cyclopropylcarbonyl)-1,2,3,8a-tetrahydroindolizin-1-yl](phenyl)methylidene}propanedinitrile
TL;DR: {[2-(4-bromophenyl)-6-cyano-3-(cyclopropylcarbonyl)-1,2,3,8a-tetrahydroindolizin-1-yl](phenyl)methylidene}propanedinitrile (CAS 313507-35-6) is a chemical compound with molecular formula C29H21BrN4O and molecular weight 520.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(4-bromophenyl)-6-cyano-3-(cyclopropanecarbonyl)-1,2,3,8a-tetrahydroindolizin-1-yl]-phenylmethylidene]propanedinitrile
Also Known As: {[2-(4-bromophenyl)-6-cyano-3-(cyclopropylcarbonyl)-1,2,3,8a-tetrahydroindolizin-1-yl](phenyl)methylidene}propanedinitrile, 2-((2-(4-bromophenyl)-6-cyano-3-(cyclopropanecarbonyl)-1,2,3,8a-tetrahydroindolizin-1-yl)(phenyl)methylene)malononitrile, 2-[[2-(4-bromophenyl)-6-cyano-3-(cyclopropanecarbonyl)-1,2,3,8a-tetrahydroindolizin-1-yl]-phenylmethylidene]propanedinitrile
| Molecular Formula | C29H21BrN4O |
|---|---|
| Molecular Weight | 520.09 g/mol |
| LogP | 5.65904 |
| Topological Polar Surface Area | 91.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 520.08984 |
| Heavy Atoms | 35 |
| Complexity | 1365.3857 |
Chemical Identifiers
| CAS Number | 313507-35-6 |
|---|---|
| SMILES | C1CC1C(=O)C2C(C(C3N2C=C(C=C3)C#N)C(=C(C#N)C#N)C4=CC=CC=C4)C5=CC=C(C=C5)Br |
Product Overview
{[2-(4-bromophenyl)-6-cyano-3-(cyclopropylcarbonyl)-1,2,3,8a-tetrahydroindolizin-1-yl](phenyl)methylidene}propanedinitrile (CAS 313507-35-6), with molecular formula C29H21BrN4O and molecular weight 520.09 g/mol. IUPAC: 2-[[2-(4-bromophenyl)-6-cyano-3-(cyclopropanecarbonyl)-1,2,3,8a-tetrahydroindolizin-1-yl]-phenylmethylidene]propanedinitrile.
Chemical Property Profile of {[2-(4-bromophenyl)-6-cyano-3-(cyclopropylcarbonyl)-1,2,3,8a-tetrahydroindolizin-1-yl](phenyl)methylidene}propanedinitrile
Property Insights of {[2-(4-bromophenyl)-6-cyano-3-(cyclopropylcarbonyl)-1,2,3,8a-tetrahydroindolizin-1-yl](phenyl)methylidene}propanedinitrile
The XLogP value of 5.65904 indicates that {[2-(4-bromophenyl)-6-cyano-3-(cyclopropylcarbonyl)-1,2,3,8a-tetrahydroindolizin-1-yl](phenyl)methylidene}propanedinitrile 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)-6-cyano-3-(cyclopropylcarbonyl)-1,2,3,8a-tetrahydroindolizin-1-yl](phenyl)methylidene}propanedinitrile. Following Lipinski's Rule of Five, {[2-(4-bromophenyl)-6-cyano-3-(cyclopropylcarbonyl)-1,2,3,8a-tetrahydroindolizin-1-yl](phenyl)methylidene}propanedinitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of {[2-(4-bromophenyl)-6-cyano-3-(cyclopropylcarbonyl)-1,2,3,8a-tetrahydroindolizin-1-yl](phenyl)methylidene}propanedinitrile?
The CAS number of {[2-(4-bromophenyl)-6-cyano-3-(cyclopropylcarbonyl)-1,2,3,8a-tetrahydroindolizin-1-yl](phenyl)methylidene}propanedinitrile is 313507-35-6.
What is the molecular formula of {[2-(4-bromophenyl)-6-cyano-3-(cyclopropylcarbonyl)-1,2,3,8a-tetrahydroindolizin-1-yl](phenyl)methylidene}propanedinitrile?
The molecular formula of {[2-(4-bromophenyl)-6-cyano-3-(cyclopropylcarbonyl)-1,2,3,8a-tetrahydroindolizin-1-yl](phenyl)methylidene}propanedinitrile is C29H21BrN4O.
What is the molecular weight of {[2-(4-bromophenyl)-6-cyano-3-(cyclopropylcarbonyl)-1,2,3,8a-tetrahydroindolizin-1-yl](phenyl)methylidene}propanedinitrile?
The molecular weight of {[2-(4-bromophenyl)-6-cyano-3-(cyclopropylcarbonyl)-1,2,3,8a-tetrahydroindolizin-1-yl](phenyl)methylidene}propanedinitrile is 520.09 g/mol.
Where can I buy {[2-(4-bromophenyl)-6-cyano-3-(cyclopropylcarbonyl)-1,2,3,8a-tetrahydroindolizin-1-yl](phenyl)methylidene}propanedinitrile?
You can request a quote for {[2-(4-bromophenyl)-6-cyano-3-(cyclopropylcarbonyl)-1,2,3,8a-tetrahydroindolizin-1-yl](phenyl)methylidene}propanedinitrile 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)-6-cyano-3-(cyclopropylcarbonyl)-1,2,3,8a-tetrahydroindolizin-1-yl](phenyl)methylidene}propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for {[2-(4-bromophenyl)-6-cyano-3-(cyclopropylcarbonyl)-1,2,3,8a-tetrahydroindolizin-1-yl](phenyl)methylidene}propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.