N,N'-(1,2-Phenylene)bis(3-oxobutanimidic acid)
TL;DR: N,N'-(1,2-Phenylene)bis(3-oxobutanimidic acid) (CAS 6279-30-7) is a chemical compound with molecular formula C14H16N2O4 and molecular weight 276.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-N-[2-(3-oxobutanoylamino)phenyl]butanamide
Also Known As: Etacrynic Acid, n,n'-benzene-1,2-diylbis(3-oxobutanamide), BUTANAMIDE, N,N'-1,2-PHENYLENEBIS[3-OXO-, N,N'-(1,2-Phenylene)bis(3-oxobutanamide), N,N'-(1,2-Phenylene)bis(3-oxobutanimidic acid)
| Molecular Formula | C14H16N2O4 |
|---|---|
| Molecular Weight | 276.11 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 92.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 276.111 |
| Heavy Atoms | 20 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 6279-30-7 |
|---|---|
| SMILES | CC(=O)CC(=O)NC1=CC=CC=C1NC(=O)CC(=O)C |
| InChIKey | ISYMWANHPZRQAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N'-(1,2-Phenylene)bis(3-oxobutanimidic acid) (CAS 6279-30-7), with molecular formula C14H16N2O4 and molecular weight 276.11 g/mol. IUPAC: 3-oxo-N-[2-(3-oxobutanoylamino)phenyl]butanamide.
Chemical Property Profile of N,N'-(1,2-Phenylene)bis(3-oxobutanimidic acid)
Property Insights of N,N'-(1,2-Phenylene)bis(3-oxobutanimidic acid)
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N'-(1,2-Phenylene)bis(3-oxobutanimidic acid). The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N'-(1,2-Phenylene)bis(3-oxobutanimidic acid). Following Lipinski's Rule of Five, N,N'-(1,2-Phenylene)bis(3-oxobutanimidic acid) has 2 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,N'-(1,2-Phenylene)bis(3-oxobutanimidic acid)?
The CAS number of N,N'-(1,2-Phenylene)bis(3-oxobutanimidic acid) is 6279-30-7.
What is the molecular formula of N,N'-(1,2-Phenylene)bis(3-oxobutanimidic acid)?
The molecular formula of N,N'-(1,2-Phenylene)bis(3-oxobutanimidic acid) is C14H16N2O4.
What is the molecular weight of N,N'-(1,2-Phenylene)bis(3-oxobutanimidic acid)?
The molecular weight of N,N'-(1,2-Phenylene)bis(3-oxobutanimidic acid) is 276.11 g/mol.
Where can I buy N,N'-(1,2-Phenylene)bis(3-oxobutanimidic acid)?
You can request a quote for N,N'-(1,2-Phenylene)bis(3-oxobutanimidic acid) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N'-(1,2-Phenylene)bis(3-oxobutanimidic acid)?
Yes, KEHONG BIO provides custom synthesis services for N,N'-(1,2-Phenylene)bis(3-oxobutanimidic acid) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.