5-(adamantane-1-carbonyl)-4-amino-1-(4-bromophenyl)-2-methyl-pyrrole-3-carbonitrile
TL;DR: 5-(adamantane-1-carbonyl)-4-amino-1-(4-bromophenyl)-2-methyl-pyrrole-3-carbonitrile (CAS 303039-33-0) is a chemical compound with molecular formula C23H24BrN3O and molecular weight 437.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(adamantane-1-carbonyl)-4-amino-1-(4-bromophenyl)-2-methylpyrrole-3-carbonitrile
Also Known As: 5-(adamantane-1-carbonyl)-4-amino-1-(4-bromophenyl)-2-methyl-pyrrole-3-carbonitrile, 5-(adamantane-1-carbonyl)-4-amino-1-(4-bromophenyl)-2-methylpyrrole-3-carbonitrile, 4-amino-1-(4-bromophenyl)-2-methyl-5-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)-1H-pyrrole-3-carbonitrile, 5-((3r,5r,7r)-adamantane-1-carbonyl)-4-amino-1-(4-bromophenyl)-2-methyl-1H-pyrrole-3-carbonitrile
| Molecular Formula | C23H24BrN3O |
|---|---|
| Molecular Weight | 437.11 g/mol |
| LogP | 5.4012 |
| Topological Polar Surface Area | 71.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 437.11026 |
| Heavy Atoms | 28 |
| Complexity | 976.6647 |
Chemical Identifiers
| CAS Number | 303039-33-0 |
|---|---|
| SMILES | CC1=C(C(=C(N1C2=CC=C(C=C2)Br)C(=O)C34CC5CC(C3)CC(C5)C4)N)C#N |
Product Overview
5-(adamantane-1-carbonyl)-4-amino-1-(4-bromophenyl)-2-methyl-pyrrole-3-carbonitrile (CAS 303039-33-0), with molecular formula C23H24BrN3O and molecular weight 437.11 g/mol. IUPAC: 5-(adamantane-1-carbonyl)-4-amino-1-(4-bromophenyl)-2-methylpyrrole-3-carbonitrile.
Chemical Property Profile of 5-(adamantane-1-carbonyl)-4-amino-1-(4-bromophenyl)-2-methyl-pyrrole-3-carbonitrile
Property Insights of 5-(adamantane-1-carbonyl)-4-amino-1-(4-bromophenyl)-2-methyl-pyrrole-3-carbonitrile
The XLogP value of 5.4012 indicates that 5-(adamantane-1-carbonyl)-4-amino-1-(4-bromophenyl)-2-methyl-pyrrole-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(adamantane-1-carbonyl)-4-amino-1-(4-bromophenyl)-2-methyl-pyrrole-3-carbonitrile. Following Lipinski's Rule of Five, 5-(adamantane-1-carbonyl)-4-amino-1-(4-bromophenyl)-2-methyl-pyrrole-3-carbonitrile has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(adamantane-1-carbonyl)-4-amino-1-(4-bromophenyl)-2-methyl-pyrrole-3-carbonitrile?
The CAS number of 5-(adamantane-1-carbonyl)-4-amino-1-(4-bromophenyl)-2-methyl-pyrrole-3-carbonitrile is 303039-33-0.
What is the molecular formula of 5-(adamantane-1-carbonyl)-4-amino-1-(4-bromophenyl)-2-methyl-pyrrole-3-carbonitrile?
The molecular formula of 5-(adamantane-1-carbonyl)-4-amino-1-(4-bromophenyl)-2-methyl-pyrrole-3-carbonitrile is C23H24BrN3O.
What is the molecular weight of 5-(adamantane-1-carbonyl)-4-amino-1-(4-bromophenyl)-2-methyl-pyrrole-3-carbonitrile?
The molecular weight of 5-(adamantane-1-carbonyl)-4-amino-1-(4-bromophenyl)-2-methyl-pyrrole-3-carbonitrile is 437.11 g/mol.
Where can I buy 5-(adamantane-1-carbonyl)-4-amino-1-(4-bromophenyl)-2-methyl-pyrrole-3-carbonitrile?
You can request a quote for 5-(adamantane-1-carbonyl)-4-amino-1-(4-bromophenyl)-2-methyl-pyrrole-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(adamantane-1-carbonyl)-4-amino-1-(4-bromophenyl)-2-methyl-pyrrole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(adamantane-1-carbonyl)-4-amino-1-(4-bromophenyl)-2-methyl-pyrrole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.