Amoxicillin Trihydrate
TL;DR: Amoxicillin Trihydrate (CAS 61336-70-7) is a chemical compound with molecular formula C16H25N3O8S and molecular weight 419.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;trihydrate
Also Known As: Amoxicillin trihydrate, amoxicillin, Larotid, Trimox, Clamoxyl
| Molecular Formula | C16H25N3O8S |
|---|---|
| Molecular Weight | 419.14 g/mol |
| LogP | -2.45 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.13623 |
| Heavy Atoms | 28 |
| Complexity | 590.0 |
Chemical Identifiers
| CAS Number | 61336-70-7 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)C.O.O.O |
| InChIKey | MQXQVCLAUDMCEF-CWLIKTDRSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Amoxicillin Trihydrate (CAS 61336-70-7), with molecular formula C16H25N3O8S and molecular weight 419.14 g/mol. IUPAC: (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;trihydrate.
Chemical Property Profile of Amoxicillin Trihydrate
Property Insights of Amoxicillin Trihydrate
The XLogP value of -2.45 indicates that Amoxicillin Trihydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 161.0 Ų indicates high polarity, suggesting Amoxicillin Trihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Amoxicillin Trihydrate has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Amoxicillin Trihydrate?
The CAS number of Amoxicillin Trihydrate is 61336-70-7.
What is the molecular formula of Amoxicillin Trihydrate?
The molecular formula of Amoxicillin Trihydrate is C16H25N3O8S.
What is the molecular weight of Amoxicillin Trihydrate?
The molecular weight of Amoxicillin Trihydrate is 419.14 g/mol.
Where can I buy Amoxicillin Trihydrate?
You can request a quote for Amoxicillin Trihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Amoxicillin Trihydrate?
Yes, KEHONG BIO provides custom synthesis services for Amoxicillin Trihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.