(4S)-4-ammonio-5-anilino-5-oxopentanoate
TL;DR: (4S)-4-ammonio-5-anilino-5-oxopentanoate (CAS 62121-04-4) is a chemical compound with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S)-5-anilino-4-azaniumyl-5-oxopentanoate
Also Known As: (4S)-4-ammonio-5-anilino-5-oxopentanoate, (4S)-5-anilino-4-azaniumyl-5-oxopentanoate
| Molecular Formula | C11H14N2O3 |
|---|---|
| Molecular Weight | 222.10 g/mol |
| LogP | -1.2343 |
| Topological Polar Surface Area | 96.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.10045 |
| Heavy Atoms | 16 |
| Complexity | 364.75223 |
Chemical Identifiers
| CAS Number | 62121-04-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)[C@H](CCC(=O)[O-])[NH3+] |
Product Overview
(4S)-4-ammonio-5-anilino-5-oxopentanoate (CAS 62121-04-4), with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol. IUPAC: (4S)-5-anilino-4-azaniumyl-5-oxopentanoate.
Chemical Property Profile of (4S)-4-ammonio-5-anilino-5-oxopentanoate
Property Insights of (4S)-4-ammonio-5-anilino-5-oxopentanoate
The XLogP value of -1.2343 indicates that (4S)-4-ammonio-5-anilino-5-oxopentanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 96.87 Ų falls within the moderate polarity range, balancing permeability and solubility for (4S)-4-ammonio-5-anilino-5-oxopentanoate. Following Lipinski's Rule of Five, (4S)-4-ammonio-5-anilino-5-oxopentanoate 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 (4S)-4-ammonio-5-anilino-5-oxopentanoate?
The CAS number of (4S)-4-ammonio-5-anilino-5-oxopentanoate is 62121-04-4.
What is the molecular formula of (4S)-4-ammonio-5-anilino-5-oxopentanoate?
The molecular formula of (4S)-4-ammonio-5-anilino-5-oxopentanoate is C11H14N2O3.
What is the molecular weight of (4S)-4-ammonio-5-anilino-5-oxopentanoate?
The molecular weight of (4S)-4-ammonio-5-anilino-5-oxopentanoate is 222.10 g/mol.
Where can I buy (4S)-4-ammonio-5-anilino-5-oxopentanoate?
You can request a quote for (4S)-4-ammonio-5-anilino-5-oxopentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4S)-4-ammonio-5-anilino-5-oxopentanoate?
Yes, KEHONG BIO provides custom synthesis services for (4S)-4-ammonio-5-anilino-5-oxopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.