Butanoic acid, 4-oxo-4-(phenylamino)-, compd. with 2-aminoethanol (1:1)
TL;DR: Butanoic acid, 4-oxo-4-(phenylamino)-, compd. with 2-aminoethanol (1:1) (CAS 112997-59-8) is a chemical compound with molecular formula C12H18N2O4 and molecular weight 254.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-anilino-4-oxobutanoate;2-hydroxyethylazanium
Also Known As: Succinanilic acid compd. with 2-aminoethanol (1:1), 4-anilino-4-oxobutanoate; 2-hydroxyethylazanium, 4-Oxo-4-(phenylamino)butanoic acid compd. with 2-aminoethanol (1:1), BUTANOIC ACID, 4-OXO-4-(PHENYLAMINO)-, compd. with 2-AMINOETHANOL (1:1), 2-Hydroxyethan-1-aminium 4-anilino-4-oxobutanoate
| Molecular Formula | C12H18N2O4 |
|---|---|
| Molecular Weight | 254.13 g/mol |
| LogP | -1.62 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.12666 |
| Heavy Atoms | 18 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 112997-59-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)CCC(=O)[O-].C(CO)[NH3+] |
| InChIKey | IKFLPIQLMLQJBF-UHFFFAOYSA-N |
Product Overview
Butanoic acid, 4-oxo-4-(phenylamino)-, compd. with 2-aminoethanol (1:1) (CAS 112997-59-8), with molecular formula C12H18N2O4 and molecular weight 254.13 g/mol. IUPAC: 4-anilino-4-oxobutanoate;2-hydroxyethylazanium.
Chemical Property Profile of Butanoic acid, 4-oxo-4-(phenylamino)-, compd. with 2-aminoethanol (1:1)
Property Insights of Butanoic acid, 4-oxo-4-(phenylamino)-, compd. with 2-aminoethanol (1:1)
The XLogP value of -1.62 indicates that Butanoic acid, 4-oxo-4-(phenylamino)-, compd. with 2-aminoethanol (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 4-oxo-4-(phenylamino)-, compd. with 2-aminoethanol (1:1). Following Lipinski's Rule of Five, Butanoic acid, 4-oxo-4-(phenylamino)-, compd. with 2-aminoethanol (1:1) has 3 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 Butanoic acid, 4-oxo-4-(phenylamino)-, compd. with 2-aminoethanol (1:1)?
The CAS number of Butanoic acid, 4-oxo-4-(phenylamino)-, compd. with 2-aminoethanol (1:1) is 112997-59-8.
What is the molecular formula of Butanoic acid, 4-oxo-4-(phenylamino)-, compd. with 2-aminoethanol (1:1)?
The molecular formula of Butanoic acid, 4-oxo-4-(phenylamino)-, compd. with 2-aminoethanol (1:1) is C12H18N2O4.
What is the molecular weight of Butanoic acid, 4-oxo-4-(phenylamino)-, compd. with 2-aminoethanol (1:1)?
The molecular weight of Butanoic acid, 4-oxo-4-(phenylamino)-, compd. with 2-aminoethanol (1:1) is 254.13 g/mol.
Where can I buy Butanoic acid, 4-oxo-4-(phenylamino)-, compd. with 2-aminoethanol (1:1)?
You can request a quote for Butanoic acid, 4-oxo-4-(phenylamino)-, compd. with 2-aminoethanol (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 4-oxo-4-(phenylamino)-, compd. with 2-aminoethanol (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 4-oxo-4-(phenylamino)-, compd. with 2-aminoethanol (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.