Benzathine Amoxicillin
TL;DR: Benzathine Amoxicillin (CAS 13959-08-5) is a chemical compound with molecular formula C48H58N8O10S2 and molecular weight 970.3717 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis((2S,5R,6R)-6-[[2-amino-2-(4-hydroxyphenyl)acetyl]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: Benzathine Amoxicillin, Benzathine amoxicillin (1:2), KST-1A1287, (2s,5r,6r)-6-{[amino(4-hydroxyphenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid- n,n'-dibenzylethane-1,2-diamine(2:1), (2S,5R,6R)-6-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; N,N'-dibenzylethane-1,2-diamine
Technical Specifications
| Molecular Formula | C48H58N8O10S2 |
| Molecular Weight | 970.3717 g/mol |
| XLogP | 2.6134 |
| Topological Polar Surface Area (TPSA) | 341.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 15 |
| Exact Mass | 970.3717 Da |
| Heavy Atoms | 68 |
| Complexity | 762.0 |
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)C.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)C.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2 |
| InChIKey | QOQQTHNQYWCQOU-KKOSCDKOSA-N |
Chemical Property Profile of Benzathine Amoxicillin
Property Insights of Benzathine Amoxicillin
The XLogP value of 2.6134 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzathine Amoxicillin. The TPSA of 341.0 Ų indicates high polarity, suggesting Benzathine Amoxicillin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzathine Amoxicillin has 10 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benzathine Amoxicillin?
The CAS number of Benzathine Amoxicillin is 13959-08-5.
What is the molecular formula of Benzathine Amoxicillin?
The molecular formula of Benzathine Amoxicillin is C48H58N8O10S2.
What is the molecular weight of Benzathine Amoxicillin?
The molecular weight of Benzathine Amoxicillin is 970.3717 g/mol.
Where can I buy Benzathine Amoxicillin?
You can request a quote for Benzathine Amoxicillin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzathine Amoxicillin?
Yes, CoreyChem provides custom synthesis services for Benzathine Amoxicillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.