(3E)-1-Bromo-3-hydroxyimino-5-phenyl-pyrrolidin-2-one
TL;DR: (3E)-1-Bromo-3-hydroxyimino-5-phenyl-pyrrolidin-2-one (CAS 5469-40-9) is a chemical compound with molecular formula C10H9BrN2O2 and molecular weight 267.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-1-bromo-3-hydroxyimino-5-phenylpyrrolidin-2-one
Also Known As: Cyclohexaneacetic acid,1-bromo, 1-bromo-3-hydroxyimino-5-phenylpyrrolidin-2-one, -1-bromo-3-hydroxyimino-5-phenyl-pyrrolidin-2-one, (3E)-1-Bromo-5-phenylpyrrolidine-2,3-dione 3-oxime, (3E)-1-BROMO-3-HYDROXYIMINO-5-PHENYL-PYRROLIDIN-2-ONE
| Molecular Formula | C10H9BrN2O2 |
|---|---|
| Molecular Weight | 267.98 g/mol |
| LogP | 2.1001 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 267.98474 |
| Heavy Atoms | 15 |
| Complexity | 405.14322 |
Chemical Identifiers
| CAS Number | 5469-40-9 |
|---|---|
| SMILES | C\1C(N(C(=O)/C1=N/O)Br)C2=CC=CC=C2 |
Product Overview
(3E)-1-Bromo-3-hydroxyimino-5-phenyl-pyrrolidin-2-one (CAS 5469-40-9), with molecular formula C10H9BrN2O2 and molecular weight 267.98 g/mol. IUPAC: (3E)-1-bromo-3-hydroxyimino-5-phenylpyrrolidin-2-one.
Chemical Property Profile of (3E)-1-Bromo-3-hydroxyimino-5-phenyl-pyrrolidin-2-one
Property Insights of (3E)-1-Bromo-3-hydroxyimino-5-phenyl-pyrrolidin-2-one
The XLogP value of 2.1001 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3E)-1-Bromo-3-hydroxyimino-5-phenyl-pyrrolidin-2-one. With a topological polar surface area (TPSA) of 52.9 Ų, (3E)-1-Bromo-3-hydroxyimino-5-phenyl-pyrrolidin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3E)-1-Bromo-3-hydroxyimino-5-phenyl-pyrrolidin-2-one has 1 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 (3E)-1-Bromo-3-hydroxyimino-5-phenyl-pyrrolidin-2-one?
The CAS number of (3E)-1-Bromo-3-hydroxyimino-5-phenyl-pyrrolidin-2-one is 5469-40-9.
What is the molecular formula of (3E)-1-Bromo-3-hydroxyimino-5-phenyl-pyrrolidin-2-one?
The molecular formula of (3E)-1-Bromo-3-hydroxyimino-5-phenyl-pyrrolidin-2-one is C10H9BrN2O2.
What is the molecular weight of (3E)-1-Bromo-3-hydroxyimino-5-phenyl-pyrrolidin-2-one?
The molecular weight of (3E)-1-Bromo-3-hydroxyimino-5-phenyl-pyrrolidin-2-one is 267.98 g/mol.
Where can I buy (3E)-1-Bromo-3-hydroxyimino-5-phenyl-pyrrolidin-2-one?
You can request a quote for (3E)-1-Bromo-3-hydroxyimino-5-phenyl-pyrrolidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3E)-1-Bromo-3-hydroxyimino-5-phenyl-pyrrolidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3E)-1-Bromo-3-hydroxyimino-5-phenyl-pyrrolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.