1-(2-Bromobenzoyl)-2-phenylpyrrolidine-2-carbonitrile
TL;DR: 1-(2-Bromobenzoyl)-2-phenylpyrrolidine-2-carbonitrile (CAS 376606-94-9) is a chemical compound with molecular formula C18H15BrN2O and molecular weight 354.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-bromobenzoyl)-2-phenylpyrrolidine-2-carbonitrile
Also Known As: 1-(2-bromobenzoyl)-2-phenylpyrrolidine-2-carbonitrile, AB00102600-01, 1-(2-bromobenzoyl)-2-phenyl-2-pyrrolidinecarbonitrile, 1-(2-bromobenzoyl)-2-phenyl-pyrrolidine-2-carbonitrile, 1-[(2-bromophenyl)carbonyl]-2-phenylpyrrolidine-2-carbonitrile
| Molecular Formula | C18H15BrN2O |
|---|---|
| Molecular Weight | 354.04 g/mol |
| LogP | 4.10418 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.03677 |
| Heavy Atoms | 22 |
| Complexity | 738.25244 |
Chemical Identifiers
| CAS Number | 376606-94-9 |
|---|---|
| SMILES | C1CC(N(C1)C(=O)C2=CC=CC=C2Br)(C#N)C3=CC=CC=C3 |
Product Overview
1-(2-Bromobenzoyl)-2-phenylpyrrolidine-2-carbonitrile (CAS 376606-94-9), with molecular formula C18H15BrN2O and molecular weight 354.04 g/mol. IUPAC: 1-(2-bromobenzoyl)-2-phenylpyrrolidine-2-carbonitrile.
Chemical Property Profile of 1-(2-Bromobenzoyl)-2-phenylpyrrolidine-2-carbonitrile
Property Insights of 1-(2-Bromobenzoyl)-2-phenylpyrrolidine-2-carbonitrile
The XLogP value of 4.10418 indicates that 1-(2-Bromobenzoyl)-2-phenylpyrrolidine-2-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, 1-(2-Bromobenzoyl)-2-phenylpyrrolidine-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Bromobenzoyl)-2-phenylpyrrolidine-2-carbonitrile has 0 hydrogen bond donor(s) and 2 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 1-(2-Bromobenzoyl)-2-phenylpyrrolidine-2-carbonitrile?
The CAS number of 1-(2-Bromobenzoyl)-2-phenylpyrrolidine-2-carbonitrile is 376606-94-9.
What is the molecular formula of 1-(2-Bromobenzoyl)-2-phenylpyrrolidine-2-carbonitrile?
The molecular formula of 1-(2-Bromobenzoyl)-2-phenylpyrrolidine-2-carbonitrile is C18H15BrN2O.
What is the molecular weight of 1-(2-Bromobenzoyl)-2-phenylpyrrolidine-2-carbonitrile?
The molecular weight of 1-(2-Bromobenzoyl)-2-phenylpyrrolidine-2-carbonitrile is 354.04 g/mol.
Where can I buy 1-(2-Bromobenzoyl)-2-phenylpyrrolidine-2-carbonitrile?
You can request a quote for 1-(2-Bromobenzoyl)-2-phenylpyrrolidine-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Bromobenzoyl)-2-phenylpyrrolidine-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Bromobenzoyl)-2-phenylpyrrolidine-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.