Nafcillin benzthine
TL;DR: Nafcillin benzthine (CAS 23288-39-3) is a chemical compound with molecular formula C37H42N4O5S and molecular weight 654.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N'-dibenzylethane-1,2-diamine;6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: Nafcillin benzthine, BENZATHINE NAFCILLIN, N,N'-dibenzylethane-1,2-diamine; 6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
| Molecular Formula | C37H42N4O5S |
|---|---|
| Molecular Weight | 654.29 g/mol |
| LogP | 5.05 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 654.2876 |
| Heavy Atoms | 47 |
| Complexity | 870.0 |
Chemical Identifiers
| CAS Number | 23288-39-3 |
|---|---|
| SMILES | CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2 |
| InChIKey | HYJHTTQKOSMGMX-UHFFFAOYSA-N |
Product Overview
Nafcillin benzthine (CAS 23288-39-3), with molecular formula C37H42N4O5S and molecular weight 654.29 g/mol. IUPAC: N,N'-dibenzylethane-1,2-diamine;6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of Nafcillin benzthine
Property Insights of Nafcillin benzthine
The XLogP value of 5.05 indicates that Nafcillin benzthine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.0 Ų indicates high polarity, suggesting Nafcillin benzthine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nafcillin benzthine has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nafcillin benzthine?
The CAS number of Nafcillin benzthine is 23288-39-3.
What is the molecular formula of Nafcillin benzthine?
The molecular formula of Nafcillin benzthine is C37H42N4O5S.
What is the molecular weight of Nafcillin benzthine?
The molecular weight of Nafcillin benzthine is 654.29 g/mol.
Where can I buy Nafcillin benzthine?
You can request a quote for Nafcillin benzthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nafcillin benzthine?
Yes, KEHONG BIO provides custom synthesis services for Nafcillin benzthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.