Ampicillin benzathine
TL;DR: Ampicillin benzathine (CAS 33276-75-4) is a chemical compound with molecular formula C48H58N8O8S2 and molecular weight 938.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid);N,N'-dibenzylethane-1,2-diamine
Also Known As: Ampicillin benzathine, Benzathine ampicillin, Durapen, Durapen (TN), Ampicillin N,N'-dibenzylethylenediamine salt
| Molecular Formula | C48H58N8O8S2 |
|---|---|
| Molecular Weight | 938.38 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 300.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 15 |
| Exact Mass | 938.3819 |
| Heavy Atoms | 66 |
| Complexity | 733.0 |
Chemical Identifiers
| CAS Number | 33276-75-4 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)C.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)C.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2 |
| InChIKey | RHKWJSNGCNASTF-PHGYPNQBSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ampicillin benzathine (CAS 33276-75-4), with molecular formula C48H58N8O8S2 and molecular weight 938.38 g/mol. IUPAC: bis((2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid);N,N'-dibenzylethane-1,2-diamine.
Chemical Property Profile of Ampicillin benzathine
Property Insights of Ampicillin benzathine
The XLogP value of 3.2 indicates that Ampicillin benzathine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 300.0 Ų indicates high polarity, suggesting Ampicillin benzathine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ampicillin benzathine has 8 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ampicillin benzathine?
The CAS number of Ampicillin benzathine is 33276-75-4.
What is the molecular formula of Ampicillin benzathine?
The molecular formula of Ampicillin benzathine is C48H58N8O8S2.
What is the molecular weight of Ampicillin benzathine?
The molecular weight of Ampicillin benzathine is 938.38 g/mol.
Where can I buy Ampicillin benzathine?
You can request a quote for Ampicillin benzathine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ampicillin benzathine?
Yes, KEHONG BIO provides custom synthesis services for Ampicillin benzathine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.