3-(5-Bromo-2-methoxyphenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile
TL;DR: 3-(5-Bromo-2-methoxyphenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile (CAS 454214-22-3) is a chemical compound with molecular formula C15H15BrN2O2 and molecular weight 334.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(5-bromo-2-methoxyphenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile
Also Known As: 3-(5-bromo-2-methoxyphenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile, (Z)-3-(5-bromo-2-methoxyphenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile
| Molecular Formula | C15H15BrN2O2 |
|---|---|
| Molecular Weight | 334.03 g/mol |
| LogP | 2.98708 |
| Topological Polar Surface Area | 53.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.03168 |
| Heavy Atoms | 20 |
| Complexity | 584.02655 |
Chemical Identifiers
| CAS Number | 454214-22-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)/C=C(/C#N)\C(=O)N2CCCC2 |
Product Overview
3-(5-Bromo-2-methoxyphenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile (CAS 454214-22-3), with molecular formula C15H15BrN2O2 and molecular weight 334.03 g/mol. IUPAC: (Z)-3-(5-bromo-2-methoxyphenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile.
Chemical Property Profile of 3-(5-Bromo-2-methoxyphenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile
Property Insights of 3-(5-Bromo-2-methoxyphenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile
The XLogP value of 2.98708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-Bromo-2-methoxyphenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile. With a topological polar surface area (TPSA) of 53.33 Ų, 3-(5-Bromo-2-methoxyphenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(5-Bromo-2-methoxyphenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile has 0 hydrogen bond donor(s) and 3 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 3-(5-Bromo-2-methoxyphenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile?
The CAS number of 3-(5-Bromo-2-methoxyphenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile is 454214-22-3.
What is the molecular formula of 3-(5-Bromo-2-methoxyphenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile?
The molecular formula of 3-(5-Bromo-2-methoxyphenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile is C15H15BrN2O2.
What is the molecular weight of 3-(5-Bromo-2-methoxyphenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile?
The molecular weight of 3-(5-Bromo-2-methoxyphenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile is 334.03 g/mol.
Where can I buy 3-(5-Bromo-2-methoxyphenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile?
You can request a quote for 3-(5-Bromo-2-methoxyphenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-Bromo-2-methoxyphenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-Bromo-2-methoxyphenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.