4-Hydroxy-4-(phenylimino)butanoic acid--piperidine (1/1)
TL;DR: 4-Hydroxy-4-(phenylimino)butanoic acid--piperidine (1/1) (CAS 112997-57-6) is a chemical compound with molecular formula C15H22N2O3 and molecular weight 278.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-anilino-4-oxobutanoate;piperidin-1-ium
Also Known As: Succinanilic acid compd. with piperidine (1:1), 4-anilino-4-oxobutanoate;piperidin-1-ium, 4-anilino-4-oxobutanoate; piperidin-1-ium, piperidinium 4-oxo-4-(phenylamino)butanoate, 4-Oxo-4-(phenylamino)butanoic acid compd. with piperidine (1:1)
| Molecular Formula | C15H22N2O3 |
|---|---|
| Molecular Weight | 278.16 g/mol |
| LogP | -0.11 |
| Topological Polar Surface Area | 85.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.16306 |
| Heavy Atoms | 20 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 112997-57-6 |
|---|---|
| SMILES | C1CC[NH2+]CC1.C1=CC=C(C=C1)NC(=O)CCC(=O)[O-] |
| InChIKey | QMFWLODZVBOMCY-UHFFFAOYSA-N |
Product Overview
4-Hydroxy-4-(phenylimino)butanoic acid--piperidine (1/1) (CAS 112997-57-6), with molecular formula C15H22N2O3 and molecular weight 278.16 g/mol. IUPAC: 4-anilino-4-oxobutanoate;piperidin-1-ium.
Chemical Property Profile of 4-Hydroxy-4-(phenylimino)butanoic acid--piperidine (1/1)
Property Insights of 4-Hydroxy-4-(phenylimino)butanoic acid--piperidine (1/1)
The XLogP value of -0.11 indicates that 4-Hydroxy-4-(phenylimino)butanoic acid--piperidine (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 85.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxy-4-(phenylimino)butanoic acid--piperidine (1/1). Following Lipinski's Rule of Five, 4-Hydroxy-4-(phenylimino)butanoic acid--piperidine (1/1) has 2 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 4-Hydroxy-4-(phenylimino)butanoic acid--piperidine (1/1)?
The CAS number of 4-Hydroxy-4-(phenylimino)butanoic acid--piperidine (1/1) is 112997-57-6.
What is the molecular formula of 4-Hydroxy-4-(phenylimino)butanoic acid--piperidine (1/1)?
The molecular formula of 4-Hydroxy-4-(phenylimino)butanoic acid--piperidine (1/1) is C15H22N2O3.
What is the molecular weight of 4-Hydroxy-4-(phenylimino)butanoic acid--piperidine (1/1)?
The molecular weight of 4-Hydroxy-4-(phenylimino)butanoic acid--piperidine (1/1) is 278.16 g/mol.
Where can I buy 4-Hydroxy-4-(phenylimino)butanoic acid--piperidine (1/1)?
You can request a quote for 4-Hydroxy-4-(phenylimino)butanoic acid--piperidine (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-4-(phenylimino)butanoic acid--piperidine (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-4-(phenylimino)butanoic acid--piperidine (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.