5-Bromo-2-(1-m-tolyl-pyrrolidin-2-ylideneamino)-benzonitrile
TL;DR: 5-Bromo-2-(1-m-tolyl-pyrrolidin-2-ylideneamino)-benzonitrile (CAS 1164512-63-3) is a chemical compound with molecular formula C18H16BrN3 and molecular weight 353.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-[[1-(3-methylphenyl)pyrrolidin-2-ylidene]amino]benzonitrile
Also Known As: BAS 00139203, 5-Bromo-2-(1-m-tolyl-pyrrolidin-2-ylideneamino)-benzonitrile, 5-bromo-2-{[1-(3-methylphenyl)-2-pyrrolidinylidene]amino}benzonitrile, A0600/0027762, Benzonitrile, 5-bromo-2-[1-(3-tolyl)pyrrolidin-2-ylidenamino]-
| Molecular Formula | C18H16BrN3 |
|---|---|
| Molecular Weight | 353.05 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 353.05276 |
| Heavy Atoms | 22 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 1164512-63-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2CCCC2=NC3=C(C=C(C=C3)Br)C#N |
| InChIKey | NRJIENPUYNDOSD-UHFFFAOYSA-N |
Product Overview
5-Bromo-2-(1-m-tolyl-pyrrolidin-2-ylideneamino)-benzonitrile (CAS 1164512-63-3), with molecular formula C18H16BrN3 and molecular weight 353.05 g/mol. IUPAC: 5-bromo-2-[[1-(3-methylphenyl)pyrrolidin-2-ylidene]amino]benzonitrile.
Chemical Property Profile of 5-Bromo-2-(1-m-tolyl-pyrrolidin-2-ylideneamino)-benzonitrile
Property Insights of 5-Bromo-2-(1-m-tolyl-pyrrolidin-2-ylideneamino)-benzonitrile
The XLogP value of 4.0 indicates that 5-Bromo-2-(1-m-tolyl-pyrrolidin-2-ylideneamino)-benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.4 Ų, 5-Bromo-2-(1-m-tolyl-pyrrolidin-2-ylideneamino)-benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-2-(1-m-tolyl-pyrrolidin-2-ylideneamino)-benzonitrile 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 5-Bromo-2-(1-m-tolyl-pyrrolidin-2-ylideneamino)-benzonitrile?
The CAS number of 5-Bromo-2-(1-m-tolyl-pyrrolidin-2-ylideneamino)-benzonitrile is 1164512-63-3.
What is the molecular formula of 5-Bromo-2-(1-m-tolyl-pyrrolidin-2-ylideneamino)-benzonitrile?
The molecular formula of 5-Bromo-2-(1-m-tolyl-pyrrolidin-2-ylideneamino)-benzonitrile is C18H16BrN3.
What is the molecular weight of 5-Bromo-2-(1-m-tolyl-pyrrolidin-2-ylideneamino)-benzonitrile?
The molecular weight of 5-Bromo-2-(1-m-tolyl-pyrrolidin-2-ylideneamino)-benzonitrile is 353.05 g/mol.
Where can I buy 5-Bromo-2-(1-m-tolyl-pyrrolidin-2-ylideneamino)-benzonitrile?
You can request a quote for 5-Bromo-2-(1-m-tolyl-pyrrolidin-2-ylideneamino)-benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-2-(1-m-tolyl-pyrrolidin-2-ylideneamino)-benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2-(1-m-tolyl-pyrrolidin-2-ylideneamino)-benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.