2-cyano-N-(2,5-dibromophenyl)-3-oxobutanamide
TL;DR: 2-cyano-N-(2,5-dibromophenyl)-3-oxobutanamide (CAS 62004-35-7) is a chemical compound with molecular formula C11H8Br2N2O2 and molecular weight 357.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-N-(2,5-dibromophenyl)-3-oxobutanamide
Also Known As: Thr1 inhibitor, 2, lfm-a13, 2-cyano-N-(2,5-dibromophenyl)-3-oxobutanamide, 2-cyano-N-(2,5-dibromophenyl)-3-oxo-butanamide, BRD-A30655177-001-03-3
| Molecular Formula | C11H8Br2N2O2 |
|---|---|
| Molecular Weight | 357.90 g/mol |
| LogP | 2.87888 |
| Topological Polar Surface Area | 69.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.89526 |
| Heavy Atoms | 17 |
| Complexity | 508.68317 |
Chemical Identifiers
| CAS Number | 62004-35-7 |
|---|---|
| SMILES | CC(=O)C(C#N)C(=O)NC1=C(C=CC(=C1)Br)Br |
Product Overview
2-cyano-N-(2,5-dibromophenyl)-3-oxobutanamide (CAS 62004-35-7), with molecular formula C11H8Br2N2O2 and molecular weight 357.90 g/mol. IUPAC: 2-cyano-N-(2,5-dibromophenyl)-3-oxobutanamide.
Chemical Property Profile of 2-cyano-N-(2,5-dibromophenyl)-3-oxobutanamide
Property Insights of 2-cyano-N-(2,5-dibromophenyl)-3-oxobutanamide
The XLogP value of 2.87888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-cyano-N-(2,5-dibromophenyl)-3-oxobutanamide. The TPSA of 69.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-cyano-N-(2,5-dibromophenyl)-3-oxobutanamide. Following Lipinski's Rule of Five, 2-cyano-N-(2,5-dibromophenyl)-3-oxobutanamide 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 2-cyano-N-(2,5-dibromophenyl)-3-oxobutanamide?
The CAS number of 2-cyano-N-(2,5-dibromophenyl)-3-oxobutanamide is 62004-35-7.
What is the molecular formula of 2-cyano-N-(2,5-dibromophenyl)-3-oxobutanamide?
The molecular formula of 2-cyano-N-(2,5-dibromophenyl)-3-oxobutanamide is C11H8Br2N2O2.
What is the molecular weight of 2-cyano-N-(2,5-dibromophenyl)-3-oxobutanamide?
The molecular weight of 2-cyano-N-(2,5-dibromophenyl)-3-oxobutanamide is 357.90 g/mol.
Where can I buy 2-cyano-N-(2,5-dibromophenyl)-3-oxobutanamide?
You can request a quote for 2-cyano-N-(2,5-dibromophenyl)-3-oxobutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-cyano-N-(2,5-dibromophenyl)-3-oxobutanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-cyano-N-(2,5-dibromophenyl)-3-oxobutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.