3,3-Dibromo Cotinine
TL;DR: 3,3-Dibromo Cotinine (CAS 74093-56-4) is a chemical compound with molecular formula C10H10Br2N2O and molecular weight 331.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dibromo-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
Also Known As: 3,3-Dibromo Cotinine, 3,3-dibromo-1-methyl-5-pyridin-3-ylpyrrolidin-2-one, 2-Pyrrolidinone,3,3-dibromo-1-methyl-5-(3-pyridinyl)-, 3,3-dibromo-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one, (5S)-3,3-dibromo-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
| Molecular Formula | C10H10Br2N2O |
|---|---|
| Molecular Weight | 331.92 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 33.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 331.916 |
| Heavy Atoms | 15 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 74093-56-4 |
|---|---|
| SMILES | CN1C(CC(C1=O)(Br)Br)C2=CN=CC=C2 |
| InChIKey | AUVVLHBHNHNTLK-UHFFFAOYSA-N |
Product Overview
3,3-Dibromo Cotinine (CAS 74093-56-4), with molecular formula C10H10Br2N2O and molecular weight 331.92 g/mol. IUPAC: 3,3-dibromo-1-methyl-5-pyridin-3-ylpyrrolidin-2-one.
Chemical Property Profile of 3,3-Dibromo Cotinine
Property Insights of 3,3-Dibromo Cotinine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dibromo Cotinine. With a topological polar surface area (TPSA) of 33.2 Ų, 3,3-Dibromo Cotinine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dibromo Cotinine 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 3,3-Dibromo Cotinine?
The CAS number of 3,3-Dibromo Cotinine is 74093-56-4.
What is the molecular formula of 3,3-Dibromo Cotinine?
The molecular formula of 3,3-Dibromo Cotinine is C10H10Br2N2O.
What is the molecular weight of 3,3-Dibromo Cotinine?
The molecular weight of 3,3-Dibromo Cotinine is 331.92 g/mol.
Where can I buy 3,3-Dibromo Cotinine?
You can request a quote for 3,3-Dibromo Cotinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dibromo Cotinine?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dibromo Cotinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.