![Butanedioic acid, mono[2-(3-methyl-4-nitrobenzoyl)hydrazide] structure](/static/products/4452/445258-06-0.webp)
Butanedioic acid, mono[2-(3-methyl-4-nitrobenzoyl)hydrazide]
TL;DR: Butanedioic acid, mono[2-(3-methyl-4-nitrobenzoyl)hydrazide] (CAS 445258-06-0) is a chemical compound with molecular formula C12H13N3O6 and molecular weight 295.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(3-methyl-4-nitrobenzoyl)hydrazinyl]-4-oxobutanoic acid
Also Known As: butanedioic acid, mono[2-(3-methyl-4-nitrobenzoyl)hydrazide], 3-[[(3-methyl-4-nitro-benzoyl)amino]carbamoyl]propanoic Acid, 4-(2-{4-nitro-3-methylbenzoyl}hydrazino)-4-oxobutanoic acid, 4-[2-(3-methyl-4-nitrobenzoyl)hydrazinyl]-4-oxobutanoic acid, 3-{N-[(3-methyl-4-nitrophenyl)carbonylamino]carbamoyl}propanoic acid
| Molecular Formula | C12H13N3O6 |
|---|---|
| Molecular Weight | 295.08 g/mol |
| LogP | 0.52902 |
| Topological Polar Surface Area | 138.64 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 295.08044 |
| Heavy Atoms | 21 |
| Complexity | 598.6556 |
Chemical Identifiers
| CAS Number | 445258-06-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)NNC(=O)CCC(=O)O)[N+](=O)[O-] |
Product Overview
Butanedioic acid, mono[2-(3-methyl-4-nitrobenzoyl)hydrazide] (CAS 445258-06-0), with molecular formula C12H13N3O6 and molecular weight 295.08 g/mol. IUPAC: 4-[2-(3-methyl-4-nitrobenzoyl)hydrazinyl]-4-oxobutanoic acid.
Chemical Property Profile of Butanedioic acid, mono[2-(3-methyl-4-nitrobenzoyl)hydrazide]
Property Insights of Butanedioic acid, mono[2-(3-methyl-4-nitrobenzoyl)hydrazide]
The XLogP value of 0.52902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanedioic acid, mono[2-(3-methyl-4-nitrobenzoyl)hydrazide]. The TPSA of 138.64 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanedioic acid, mono[2-(3-methyl-4-nitrobenzoyl)hydrazide]. Following Lipinski's Rule of Five, Butanedioic acid, mono[2-(3-methyl-4-nitrobenzoyl)hydrazide] has 3 hydrogen bond donor(s) and 5 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 Butanedioic acid, mono[2-(3-methyl-4-nitrobenzoyl)hydrazide]?
The CAS number of Butanedioic acid, mono[2-(3-methyl-4-nitrobenzoyl)hydrazide] is 445258-06-0.
What is the molecular formula of Butanedioic acid, mono[2-(3-methyl-4-nitrobenzoyl)hydrazide]?
The molecular formula of Butanedioic acid, mono[2-(3-methyl-4-nitrobenzoyl)hydrazide] is C12H13N3O6.
What is the molecular weight of Butanedioic acid, mono[2-(3-methyl-4-nitrobenzoyl)hydrazide]?
The molecular weight of Butanedioic acid, mono[2-(3-methyl-4-nitrobenzoyl)hydrazide] is 295.08 g/mol.
Where can I buy Butanedioic acid, mono[2-(3-methyl-4-nitrobenzoyl)hydrazide]?
You can request a quote for Butanedioic acid, mono[2-(3-methyl-4-nitrobenzoyl)hydrazide] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanedioic acid, mono[2-(3-methyl-4-nitrobenzoyl)hydrazide]?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, mono[2-(3-methyl-4-nitrobenzoyl)hydrazide] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.