N-Formyl-3,4-methylenedioxy-benzylidine-gamma-butyrolactam
TL;DR: N-Formyl-3,4-methylenedioxy-benzylidine-gamma-butyrolactam (CAS 218924-25-5) is a chemical compound with molecular formula C13H11NO4 and molecular weight 245.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-2-oxopyrrolidine-1-carbaldehyde
Also Known As: KNK437, Heat Shock Protein Inhibitor I, KNK 437, KNK437?, s7750
| Molecular Formula | C13H11NO4 |
|---|---|
| Molecular Weight | 245.07 g/mol |
| LogP | 1.1874 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.0688 |
| Heavy Atoms | 18 |
| Complexity | 549.92224 |
Chemical Identifiers
| CAS Number | 218924-25-5 |
|---|---|
| SMILES | C\1CN(C(=O)/C1=C\C2=CC3=C(C=C2)OCO3)C=O |
Product Overview
N-Formyl-3,4-methylenedioxy-benzylidine-gamma-butyrolactam (CAS 218924-25-5), with molecular formula C13H11NO4 and molecular weight 245.07 g/mol. IUPAC: (3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-2-oxopyrrolidine-1-carbaldehyde.
Chemical Property Profile of N-Formyl-3,4-methylenedioxy-benzylidine-gamma-butyrolactam
Property Insights of N-Formyl-3,4-methylenedioxy-benzylidine-gamma-butyrolactam
The XLogP value of 1.1874 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Formyl-3,4-methylenedioxy-benzylidine-gamma-butyrolactam. With a topological polar surface area (TPSA) of 55.84 Ų, N-Formyl-3,4-methylenedioxy-benzylidine-gamma-butyrolactam exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Formyl-3,4-methylenedioxy-benzylidine-gamma-butyrolactam has 0 hydrogen bond donor(s) and 4 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 N-Formyl-3,4-methylenedioxy-benzylidine-gamma-butyrolactam?
The CAS number of N-Formyl-3,4-methylenedioxy-benzylidine-gamma-butyrolactam is 218924-25-5.
What is the molecular formula of N-Formyl-3,4-methylenedioxy-benzylidine-gamma-butyrolactam?
The molecular formula of N-Formyl-3,4-methylenedioxy-benzylidine-gamma-butyrolactam is C13H11NO4.
What is the molecular weight of N-Formyl-3,4-methylenedioxy-benzylidine-gamma-butyrolactam?
The molecular weight of N-Formyl-3,4-methylenedioxy-benzylidine-gamma-butyrolactam is 245.07 g/mol.
Where can I buy N-Formyl-3,4-methylenedioxy-benzylidine-gamma-butyrolactam?
You can request a quote for N-Formyl-3,4-methylenedioxy-benzylidine-gamma-butyrolactam directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Formyl-3,4-methylenedioxy-benzylidine-gamma-butyrolactam?
Yes, KEHONG BIO provides custom synthesis services for N-Formyl-3,4-methylenedioxy-benzylidine-gamma-butyrolactam and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.