Amoxicilloic acid
TL;DR: Amoxicilloic acid (CAS 42947-63-7) is a chemical compound with molecular formula C16H21N3O6S and molecular weight 383.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4S)-2-[(R)-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-carboxymethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Also Known As: Amoxicilloic acid, Amoxycilloic acid, Amoxipenicilloic Acid, Amoxicillin Impurity 82, Epitope ID:567329
| Molecular Formula | C16H21N3O6S |
|---|---|
| Molecular Weight | 383.12 g/mol |
| LogP | -4.6 |
| Topological Polar Surface Area | 187.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.1151 |
| Heavy Atoms | 26 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 42947-63-7 |
|---|---|
| SMILES | CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)[C@@H](C2=CC=C(C=C2)O)N)C(=O)O)C |
| InChIKey | LHHKJQFIKHAUIA-MPPDQPJWSA-N |
Product Overview
Amoxicilloic acid (CAS 42947-63-7), with molecular formula C16H21N3O6S and molecular weight 383.12 g/mol. IUPAC: (2R,4S)-2-[(R)-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-carboxymethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.
Chemical Property Profile of Amoxicilloic acid
Property Insights of Amoxicilloic acid
The XLogP value of -4.6 indicates that Amoxicilloic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 187.0 Ų indicates high polarity, suggesting Amoxicilloic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Amoxicilloic acid has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Amoxicilloic acid?
The CAS number of Amoxicilloic acid is 42947-63-7.
What is the molecular formula of Amoxicilloic acid?
The molecular formula of Amoxicilloic acid is C16H21N3O6S.
What is the molecular weight of Amoxicilloic acid?
The molecular weight of Amoxicilloic acid is 383.12 g/mol.
Where can I buy Amoxicilloic acid?
You can request a quote for Amoxicilloic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Amoxicilloic acid?
Yes, KEHONG BIO provides custom synthesis services for Amoxicilloic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.